N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-4-sulfamoylbutanamide

• ChemBase ID: 835611
• Molecular Formular: C17H23N3O4S
• Molecular Mass: 365.44722
• Monoisotopic Mass: 365.14092723
• SMILES: N1(C(=O)CC(C1)NC(=O)CCCS(=O)(=O)N)C1Cc2c(C1)cccc2
• Canonical SMILES: O=C(NC1CC(=O)N(C1)C1Cc2c(C1)cccc2)CCCS(=O)(=O)N
• InChI: InChI=1S/C17H23N3O4S/c18-25(23,24)7-3-6-16(21)19-14-10-17(22)20(11-14)15-8-12-4-1-2-5-13(12)9-15/h1-2,4-5,14-15H,3,6-11H2,(H,19,21)(H2,18,23,24)
• InChIKey: WOFWZFRVXJAGKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-4-sulfamoylbutanamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-4-sulfamoylbutanamide
• Synonyms: 4-(aminosulfonyl)-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.700833
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.60623235
• LogD (pH = 7.4): -0.60625124
• Log P: -0.606232
• Molar Refractivity: 92.8968 cm^3
• Polarizability: 36.914783 Å^3
• Polar Surface Area: 109.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.49
• LOG S: -2.76
• Polar Surface Area: 109.57 Å^2
• Rotatable Bonds: 6