N-cyclopentyl-4-{[(3S,4R)-4-ethoxyoxolan-3-yl]sulfamoyl}benzamide

• ChemBase ID: 562686
• Molecular Formular: C18H26N2O5S
• Molecular Mass: 382.47444
• Monoisotopic Mass: 382.15624294
• SMILES: S(=O)(=O)(N[C@@H]1[C@H](COC1)OCC)c1ccc(C(=O)NC2CCCC2)cc1
• Canonical SMILES: CCO[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc(cc1)C(=O)NC1CCCC1
• InChI: InChI=1S/C18H26N2O5S/c1-2-25-17-12-24-11-16(17)20-26(22,23)15-9-7-13(8-10-15)18(21)19-14-5-3-4-6-14/h7-10,14,16-17,20H,2-6,11-12H2,1H3,(H,19,21)/t16-,17-/m0/s1
• InChIKey: NWJNQIMTNGIBIC-IRXDYDNUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-{[(3S,4R)-4-ethoxyoxolan-3-yl]sulfamoyl}benzamide
• IUPAC Traditional name: N-cyclopentyl-4-{[(3S,4R)-4-ethoxyoxolan-3-yl]sulfamoyl}benzamide
• Synonyms: N-cyclopentyl-4-({[(3S*,4R*)-4-ethoxytetrahydro-3-furanyl]amino}sulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.872049
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.4428205
• LogD (pH = 7.4): 1.4415418
• Log P: 1.442837
• Molar Refractivity: 97.7079 cm^3
• Polarizability: 38.687336 Å^3
• Polar Surface Area: 93.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.52
• LOG S: -3.29
• Polar Surface Area: 93.73 Å^2
• Rotatable Bonds: 6