N-cyclopentyl-3-{[(5-methylthiophen-2-yl)methyl]amino}-5-(phenylsulfamoyl)benzamide

• ChemBase ID: 704955
• Molecular Formular: C24H27N3O3S2
• Molecular Mass: 469.61948
• Monoisotopic Mass: 469.14938374
• SMILES: S(=O)(=O)(c1cc(C(=O)NC2CCCC2)cc(c1)NCc1sc(cc1)C)Nc1ccccc1
• Canonical SMILES: Cc1ccc(s1)CNc1cc(cc(c1)S(=O)(=O)Nc1ccccc1)C(=O)NC1CCCC1
• InChI: InChI=1S/C24H27N3O3S2/c1-17-11-12-22(31-17)16-25-21-13-18(24(28)26-19-7-5-6-8-19)14-23(15-21)32(29,30)27-20-9-3-2-4-10-20/h2-4,9-15,19,25,27H,5-8,16H2,1H3,(H,26,28)
• InChIKey: LFTSBRUGYAHWDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-{[(5-methylthiophen-2-yl)methyl]amino}-5-(phenylsulfamoyl)benzamide
• IUPAC Traditional name: N-cyclopentyl-3-{[(5-methylthiophen-2-yl)methyl]amino}-5-(phenylsulfamoyl)benzamide
• Synonyms: 3-(anilinosulfonyl)-N-cyclopentyl-5-{[(5-methyl-2-thienyl)methyl]amino}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.679091
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 4.643344
• LogD (pH = 7.4): 4.4876895
• Log P: 4.6459227
• Molar Refractivity: 130.0311 cm^3
• Polarizability: 49.496944 Å^3
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 4.54
• LOG S: -6.82
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 7