N-cyclopentyl-3-{[2-(thiophen-2-yl)ethyl]sulfamoyl}benzamide

• ChemBase ID: 782345
• Molecular Formular: C18H22N2O3S2
• Molecular Mass: 378.50888
• Monoisotopic Mass: 378.10718457
• SMILES: S(=O)(=O)(c1cc(C(=O)NC2CCCC2)ccc1)NCCc1sccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NCCc1cccs1)NC1CCCC1
• InChI: InChI=1S/C18H22N2O3S2/c21-18(20-15-6-1-2-7-15)14-5-3-9-17(13-14)25(22,23)19-11-10-16-8-4-12-24-16/h3-5,8-9,12-13,15,19H,1-2,6-7,10-11H2,(H,20,21)
• InChIKey: MMKMRHWPQBBWHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-{[2-(thiophen-2-yl)ethyl]sulfamoyl}benzamide
• IUPAC Traditional name: N-cyclopentyl-3-{[2-(thiophen-2-yl)ethyl]sulfamoyl}benzamide
• Synonyms: N-cyclopentyl-3-({[2-(2-thienyl)ethyl]amino}sulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.882855
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.1579704
• LogD (pH = 7.4): 3.1567233
• Log P: 3.1579866
• Molar Refractivity: 99.8688 cm^3
• Polarizability: 38.871193 Å^3
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.38
• LOG S: -4.85
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 6