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

2-methanesulfonamido-N-[(3R,4S)-1-(2-methoxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide

ChemBase ID: 410124
Molecular Formular: C15H25N3O5S
Molecular Mass: 359.4411
Monoisotopic Mass: 359.15149192
SMILES and InChIs

SMILES:
S(=O)(=O)(NCC(=O)N[C@@H]1[C@@H](c2oc(cc2)C)CN(C1)CCOC)C
Canonical SMILES:
COCCN1C[C@@H]([C@H](C1)c1ccc(o1)C)NC(=O)CNS(=O)(=O)C
InChI:
InChI=1S/C15H25N3O5S/c1-11-4-5-14(23-11)12-9-18(6-7-22-2)10-13(12)17-15(19)8-16-24(3,20)21/h4-5,12-13,16H,6-10H2,1-3H3,(H,17,19)/t12-,13-/m0/s1
InChIKey:
MYWHWQZWVDIQQB-STQMWFEESA-N

Cite this record

CBID:410124 http://www.chembase.cn/molecule-410124.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methanesulfonamido-N-[(3R,4S)-1-(2-methoxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
IUPAC Traditional name
2-methanesulfonamido-N-[(3R,4S)-1-(2-methoxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
Synonyms
N~1~-[(3R*,4S*)-1-(2-methoxyethyl)-4-(5-methyl-2-furyl)-3-pyrrolidinyl]-N~2~-(methylsulfonyl)glycinamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 24356798 external link Add to cart
Data Source Data ID Price
ChemBridge
24356798 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 10.150362  H Acceptors
H Donor LogD (pH = 5.5) -3.7829967 
LogD (pH = 7.4) -2.0559664  Log P -1.5188786 
Molar Refractivity 89.2415 cm3 Polarizability 35.494408 Å3
Polar Surface Area 100.88 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.51  LOG S -2.69 
Polar Surface Area 100.88 Å2 Rotatable Bonds

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