4-(cyclopentylsulfamoyl)-N-[2-(1H-imidazol-4-yl)ethyl]benzamide

• ChemBase ID: 415675
• Molecular Formular: C17H22N4O3S
• Molecular Mass: 362.44658
• Monoisotopic Mass: 362.14126158
• SMILES: S(=O)(=O)(NC1CCCC1)c1ccc(C(=O)NCCc2nc[nH]c2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)S(=O)(=O)NC1CCCC1)NCCc1nc[nH]c1
• InChI: InChI=1S/C17H22N4O3S/c22-17(19-10-9-15-11-18-12-20-15)13-5-7-16(8-6-13)25(23,24)21-14-3-1-2-4-14/h5-8,11-12,14,21H,1-4,9-10H2,(H,18,20)(H,19,22)
• InChIKey: YZLYCPDSKSBUAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopentylsulfamoyl)-N-[2-(1H-imidazol-4-yl)ethyl]benzamide
• IUPAC Traditional name: 4-(cyclopentylsulfamoyl)-N-[2-(1H-imidazol-4-yl)ethyl]benzamide
• Synonyms: 4-[(cyclopentylamino)sulfonyl]-N-[2-(1H-imidazol-4-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.888778
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.36734432
• LogD (pH = 7.4): 1.103186
• Log P: 1.1564586
• Molar Refractivity: 95.2455 cm^3
• Polarizability: 37.04371 Å^3
• Polar Surface Area: 103.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.2
• LOG S: -2.87
• Polar Surface Area: 103.95 Å^2
• Rotatable Bonds: 6