Chembase list of 866358 unique molecular structures

1-propyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide

$$$$ Data

M. F.

C10H13N3O2S2

Suppliers	Catalog Number
Enamine	EN300-11665

Database	Data ID
PubChem	4285822

M. W.

271.35912

CAS

Similarity

N/A

ID: 242752

3-(4-fluorophenyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C11H7FO3

Suppliers	Catalog Number
Enamine	EN300-116651

Database	Data ID
PubChem	19874616

M. W.

206.1698832

CAS

Similarity

N/A

ID: 242753

1-(4-amino-3-ethylpiperidin-1-yl)propan-1-one hydrochloride

$$$$ Data

M. F.

C10H21ClN2O

Suppliers	Catalog Number
Enamine	EN300-116653

Database	Data ID
PubChem	71757075

M. W.

220.73954

CAS

Similarity

N/A

ID: 242754

2-chloro-4,5-dimethylbenzoic acid

$$$$ Data

M. F.

C9H9ClO2

Suppliers	Catalog Number
Enamine	EN300-116658

Database	Data ID
PubChem	349710

M. W.

184.61956

CAS

Similarity

N/A

ID: 242755

3-amino-4-(propylamino)benzene-1-sulfonamide

$$$$ Data

M. F.

C9H15N3O2S

Suppliers	Catalog Number
Enamine	EN300-11666

Database	Data ID
PubChem	4961678

M. W.

229.2993

CAS

Similarity

N/A

ID: 242756

1-(2-chloro-4,5-dimethylphenyl)ethan-1-one

$$$$ Data

M. F.

C10H11ClO

Suppliers	Catalog Number
Enamine	EN300-116660

Database	Data ID
PubChem	71351203

M. W.

182.64674

CAS

Similarity

N/A

ID: 242757

3-amino-4-(dimethylamino)benzene-1-sulfonamide

$$$$ Data

M. F.

C8H13N3O2S

Suppliers	Catalog Number
Enamine	EN300-11667

Database	Data ID
PubChem	4961679

M. W.

215.27272

CAS

Similarity

N/A

ID: 242758

3-(propan-2-yl)benzene-1-sulfonamide

$$$$ Data

M. F.

C9H13NO2S

Suppliers	Catalog Number
Enamine	EN300-116677

Database	Data ID
PubChem	23273743

M. W.

199.27002

CAS

Similarity

N/A

ID: 242759

methyl 2-[3-(aminomethyl)piperidin-1-yl]acetate dihydrochloride

$$$$ Data

M. F.

C9H20Cl2N2O2

Suppliers	Catalog Number
Enamine	EN300-116678

Database	Data ID
PubChem	71757077

M. W.

259.1733

CAS

Similarity

N/A

ID: 242760

5-amino-2-methoxy-N,N-dimethylbenzene-1-sulfonamide

$$$$ Data

M. F.

C9H14N2O3S

Suppliers	Catalog Number
Enamine	EN300-11668
Bide Pharmatech	BD229426

Database	Data ID
PubChem	4961680

M. W.

230.28406

CAS

851175-92-3

Similarity

N/A

ID: 242761

6-(3,4-dichlorophenoxy)pyridine-2-carboxylic acid

$$$$ Data

M. F.

C12H7Cl2NO3

Suppliers	Catalog Number
Enamine	EN300-116680

Database	Data ID
PubChem	62253187

M. W.

284.09488

CAS

Similarity

N/A

ID: 242762

2-[(2-ethoxypyridin-3-yl)oxy]ethan-1-ol

$$$$ Data

M. F.

C9H13NO3

Suppliers	Catalog Number
Enamine	EN300-116682

Database	Data ID
PubChem	11513872

M. W.

183.20442

CAS

Similarity

N/A

ID: 242763

(5R)-7-tert-butyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

$$$$ Data

M. F.

C14H20O2

Suppliers	Catalog Number
Enamine	EN300-116683

Database	Data ID
PubChem	65721246

M. W.

220.3074

CAS

Similarity

N/A

ID: 242764

(5S)-7-tert-butyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

$$$$ Data

M. F.

C14H20O2

Suppliers	Catalog Number
Enamine	EN300-116686

Database	Data ID
PubChem	71757078

M. W.

220.3074

CAS

Similarity

N/A

ID: 242765

(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

$$$$ Data

M. F.

C10H12O2

Suppliers	Catalog Number
Enamine	EN300-116687

Database	Data ID
PubChem	51412220

M. W.

164.20108

CAS

Similarity

N/A

ID: 242766

1-(2,6-dichlorophenyl)propan-2-one

$$$$ Data

M. F.

C9H8Cl2O

Suppliers	Catalog Number
Enamine	EN300-116688

Database	Data ID
PubChem	2734103

M. W.

203.06522

CAS

Similarity

N/A

ID: 242767

2-(chloromethyl)-5-(morpholine-4-sulfonyl)-1-propyl-1H-1,3-benzodiazole

$$$$ Data

M. F.

C15H20ClN3O3S

Suppliers	Catalog Number
Enamine	EN300-11669

Database	Data ID
PubChem	4961681

M. W.

357.8556

CAS

Similarity

N/A

ID: 242768

2-amino-2-phenyl-N-(1H-pyrazol-4-yl)acetamide dihydrochloride

$$$$ Data

M. F.

C11H14Cl2N4O

Suppliers	Catalog Number
Enamine	EN300-116690

Database	Data ID
PubChem	71757079

M. W.

289.16106

CAS

Similarity

N/A

ID: 242769

(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

$$$$ Data

M. F.

C10H12O2

Suppliers	Catalog Number
Enamine	EN300-116691

Database	Data ID
PubChem	15619712

M. W.

164.20108

CAS

Similarity

N/A

ID: 242770

methyl 5-cyanopyrazine-2-carboxylate

$$$$ Data

M. F.

C7H5N3O2

Suppliers	Catalog Number
Enamine	EN300-116692

Database	Data ID
PubChem	45082509

M. W.

163.1335

CAS

Similarity

N/A

ID: 242771

(6-methylpyrimidin-4-yl)methanol

$$$$ Data

M. F.

C6H8N2O

Suppliers	Catalog Number
Enamine	EN300-116693
A&J Pharmtech	AJA-O9384

Database	Data ID
PubChem	21124116

M. W.

124.14052

CAS

74502-82-2

Similarity

N/A

ID: 242772

4-chloro-3-(chlorosulfonyl)-5-methylbenzoic acid

$$$$ Data

M. F.

C8H6Cl2O4S

Suppliers	Catalog Number
Enamine	EN300-116697

Database	Data ID
PubChem	53423543

M. W.

269.10184

CAS

Similarity

N/A

ID: 242773

3-(chlorosulfonyl)-2-fluoro-5-methylbenzoic acid

$$$$ Data

M. F.

C8H6ClFO4S

Suppliers	Catalog Number
Enamine	EN300-116698

Database	Data ID
PubChem	71757080

M. W.

252.6472432

CAS

Similarity

N/A

ID: 242774

5-amino-N,2-dimethylbenzene-1-sulfonamide

$$$$ Data

M. F.

C8H12N2O2S

Suppliers	Catalog Number
Enamine	EN300-11670

Database	Data ID
PubChem	235521

M. W.

200.25808

CAS

Similarity

N/A

ID: 242775

6-fluoro-2-azaspiro[3.3]heptane hydrochloride

$$$$ Data

M. F.

C6H11ClFN

Suppliers	Catalog Number
Enamine	EN300-116702

Database	Data ID
PubChem	71757081

M. W.

151.6096432

CAS

Similarity

N/A

ID: 242776

1-(2-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-one

$$$$ Data

M. F.

C11H12ClFO

Suppliers	Catalog Number
Enamine	EN300-116703

Database	Data ID
PubChem	19834715

M. W.

214.6637832

CAS

Similarity

N/A

ID: 242777

3-methoxy-1-phenylpropan-1-ol

$$$$ Data

M. F.

C10H14O2

Suppliers	Catalog Number
Enamine	EN300-116704

Database	Data ID
PubChem	10899050

M. W.

166.21696

CAS

Similarity

N/A

ID: 242778

4-(2-hydroxypropan-2-yl)benzonitrile

$$$$ Data

M. F.

C10H11NO

Suppliers	Catalog Number
Enamine	EN300-116705

Database	Data ID
PubChem	589557

M. W.

161.20044

CAS

Similarity

N/A

ID: 242779

2-(1-methyl-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetic acid

$$$$ Data

M. F.

C6H8N2O3

Suppliers	Catalog Number
Enamine	EN300-116708

Database	Data ID
PubChem	43133798

M. W.

156.13932

CAS

Similarity

N/A

ID: 242780

2-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)acetic acid hydrochloride

$$$$ Data

M. F.

C9H16ClN3O2

Suppliers	Catalog Number
Enamine	EN300-116709

Database	Data ID
PubChem	71757082

M. W.

233.69524

CAS

Similarity

N/A

ID: 242781

1'-methyl-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-amine hydrochloride

$$$$ Data

M. F.

C14H21ClN2O

Suppliers	Catalog Number
Enamine	EN300-11671

Database	Data ID
PubChem	43810428

M. W.

268.78234

CAS

70505-90-7

Similarity

N/A

ID: 242782

3-hydroxy-2,2-dimethylbutanenitrile

$$$$ Data

M. F.

C6H11NO

Suppliers	Catalog Number
Enamine	EN300-116710

Database	Data ID
PubChem	15205080

M. W.

113.15764

CAS

Similarity

N/A

ID: 242783

4-amino-2-chloro-N-(oxolan-2-ylmethyl)benzamide

$$$$ Data

M. F.

C12H15ClN2O2

Suppliers	Catalog Number
Enamine	EN300-116712

Database	Data ID
PubChem	16785015

M. W.

254.7127

CAS

Similarity

N/A

ID: 242784

4-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-1-ol

$$$$ Data

M. F.

C13H16O2

Suppliers	Catalog Number
Enamine	EN300-116714

Database	Data ID
PubChem	63090543

M. W.

204.26494

CAS

Similarity

N/A

ID: 242785

3-bromo-4-methyl-5-nitrobenzoic acid

$$$$ Data

M. F.

C8H6BrNO4

Suppliers	Catalog Number
Enamine	EN300-116715

Database	Data ID
PubChem	3904035

M. W.

260.04154

CAS

Similarity

N/A

ID: 242786

ethyl 2-(3-cyano-1H-1,2,4-triazol-1-yl)acetate

$$$$ Data

M. F.

C7H8N4O2

Suppliers	Catalog Number
Enamine	EN300-116716

Database	Data ID
PubChem	60710264

M. W.

180.16402

CAS

Similarity

N/A

ID: 242787

4-(chlorosulfonyl)-2-(trifluoromethyl)benzoic acid

$$$$ Data

M. F.

C8H4ClF3O4S

Suppliers	Catalog Number
Enamine	EN300-116718

Database	Data ID
PubChem	71757083

M. W.

288.6281696

CAS

Similarity

N/A

ID: 242788

(2,2-dichlorocyclopropyl)methanamine

$$$$ Data

M. F.

C4H7Cl2N

Suppliers	Catalog Number
Enamine	EN300-11672

Database	Data ID
PubChem	4961683

M. W.

140.01108

CAS

68618-71-3

Similarity

N/A

ID: 242789

potassium trifluoro[4-(oxan-4-yloxy)phenyl]boranuide

$$$$ Data

M. F.

C11H13BF3KO2

Suppliers	Catalog Number
Enamine	EN300-116723

Database	Data ID
PubChem	63936854

M. W.

284.1242296

CAS

Similarity

N/A

ID: 242790

5-ethyl-5-(1-methyl-1H-pyrazol-4-yl)imidazolidine-2,4-dione

$$$$ Data

M. F.

C9H12N4O2

Suppliers	Catalog Number
Enamine	EN300-116725

Database	Data ID
PubChem	71757084

M. W.

208.21718

CAS

Similarity

N/A

ID: 242791

5-(2-chloroethyl)-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C4H6ClN3S

Suppliers	Catalog Number
Enamine	EN300-116727

Database	Data ID
PubChem	15031707

M. W.

163.62854

CAS

Similarity

N/A

ID: 242792

3,3-dichloro-2-oxo-2,3-dihydro-1H-indole-5-sulfonyl chloride

$$$$ Data

M. F.

C8H4Cl3NO3S

Suppliers	Catalog Number
Enamine	EN300-11673

Database	Data ID
PubChem	3022352

M. W.

300.54626

CAS

93783-15-4

Similarity

N/A

ID: 242793

(5R)-5-hydroxy-2,3,4,5-tetrahydro-1λ⁶-benzothiepine-1,1-dione

$$$$ Data

M. F.

C10H12O3S

Suppliers	Catalog Number
Enamine	EN300-116730

Database	Data ID
PubChem	36688832

M. W.

212.26548

CAS

Similarity

N/A

ID: 242794

(5S)-5-hydroxy-2,3,4,5-tetrahydro-1λ⁶-benzothiepine-1,1-dione

$$$$ Data

M. F.

C10H12O3S

Suppliers	Catalog Number
Enamine	EN300-116731

Database	Data ID
PubChem	40559816

M. W.

212.26548

CAS

Similarity

N/A

ID: 242795

(1S)-2,2-dimethylcyclopropane-1-carboxylic acid

$$$$ Data

M. F.

C6H10O2

Suppliers	Catalog Number
Enamine	EN300-116732
Bide Pharmatech	BD41298

Database	Data ID
PubChem	10192561

M. W.

114.1424

CAS

14590-53-5

Similarity

N/A

ID: 242796

2-[(cyclobutylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide

$$$$ Data

M. F.

C13H16Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-116739

Database	Data ID
PubChem	43627341

M. W.

287.18494

CAS

Similarity

N/A

ID: 242797

N-[4-(propan-2-yl)phenyl]-1H-indole-3-carboxamide

$$$$ Data

M. F.

C18H18N2O

Suppliers	Catalog Number
Enamine	EN300-116741

Database	Data ID
PubChem	43399250

M. W.

278.34832

CAS

Similarity

N/A

ID: 242798

1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylethan-1-one

$$$$ Data

M. F.

C14H20N2O2

Suppliers	Catalog Number
Enamine	EN300-116743

Database	Data ID
PubChem	3264549

M. W.

248.3208

CAS

Similarity

N/A

ID: 242799

N,N-dimethylmorpholine-4-sulfonamide

$$$$ Data

M. F.

C6H14N2O3S

Suppliers	Catalog Number
Enamine	EN300-116744

Database	Data ID
PubChem	223610

M. W.

194.25196

CAS

Similarity

N/A

ID: 242800

11-(chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0²,⁷]tri...

$$$$ Data

M. F.

C11H11ClN2OS

Suppliers	Catalog Number
Enamine	EN300-11675

Database	Data ID
PubChem	2534975

M. W.

254.73584

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified