3-(cyclopentylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

• ChemBase ID: 390058
• Molecular Formular: C17H21N3O3S2
• Molecular Mass: 379.49694
• Monoisotopic Mass: 379.10243355
• SMILES: S(=O)(=O)(NC1CCCC1)c1cc(C(=O)NCCc2nccs2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NC1CCCC1)NCCc1nccs1
• InChI: InChI=1S/C17H21N3O3S2/c21-17(19-9-8-16-18-10-11-24-16)13-4-3-7-15(12-13)25(22,23)20-14-5-1-2-6-14/h3-4,7,10-12,14,20H,1-2,5-6,8-9H2,(H,19,21)
• InChIKey: XREWAOHAWIGMMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopentylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
• IUPAC Traditional name: 3-(cyclopentylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
• Synonyms: 3-[(cyclopentylamino)sulfonyl]-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.873979
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9250153
• LogD (pH = 7.4): 1.9241216
• Log P: 1.925416
• Molar Refractivity: 97.3483 cm^3
• Polarizability: 38.02661 Å^3
• Polar Surface Area: 88.16 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: 2.7
• LOG S: -4.27
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 6