Home > Compound List > Compound details
 molecular structure
click picture or here to close

N-(1-methoxybutan-2-yl)-3-[(oxan-4-yl)sulfamoyl]benzamide

ChemBase ID: 470742
Molecular Formular: C17H26N2O5S
Molecular Mass: 370.46374
Monoisotopic Mass: 370.15624294
SMILES and InChIs

SMILES:
S(=O)(=O)(NC1CCOCC1)c1cc(C(=O)NC(COC)CC)ccc1
Canonical SMILES:
COCC(NC(=O)c1cccc(c1)S(=O)(=O)NC1CCOCC1)CC
InChI:
InChI=1S/C17H26N2O5S/c1-3-14(12-23-2)18-17(20)13-5-4-6-16(11-13)25(21,22)19-15-7-9-24-10-8-15/h4-6,11,14-15,19H,3,7-10,12H2,1-2H3,(H,18,20)
InChIKey:
UWMNZVGYOIPZJC-UHFFFAOYSA-N

Cite this record

CBID:470742 http://www.chembase.cn/molecule-470742.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1-methoxybutan-2-yl)-3-[(oxan-4-yl)sulfamoyl]benzamide
IUPAC Traditional name
N-(1-methoxybutan-2-yl)-3-[(oxan-4-yl)sulfamoyl]benzamide
Synonyms
N-[1-(methoxymethyl)propyl]-3-[(tetrahydro-2H-pyran-4-ylamino)sulfonyl]benzamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 34010793 external link Add to cart
Data Source Data ID Price
ChemBridge
34010793 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Log P 0.730577  Molar Refractivity 95.5495 cm3
Polarizability 37.570675 Å3 Polar Surface Area 93.73 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 9.873003  H Acceptors
H Donor LogD (pH = 5.5) 0.7305606 
LogD (pH = 7.4) 0.72928464 
Log P 1.06  LOG S -2.81 
Polar Surface Area 93.73 Å2 Rotatable Bonds
H Acceptors H Donor

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle