3-(cyclopentylsulfamoyl)-N-[(dimethyl-1,2-oxazol-4-yl)methyl]benzamide

• ChemBase ID: 430053
• Molecular Formular: C18H23N3O4S
• Molecular Mass: 377.45792
• Monoisotopic Mass: 377.14092723
• SMILES: S(=O)(=O)(NC1CCCC1)c1cc(C(=O)NCc2c(onc2C)C)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NC1CCCC1)NCc1c(C)noc1C
• InChI: InChI=1S/C18H23N3O4S/c1-12-17(13(2)25-20-12)11-19-18(22)14-6-5-9-16(10-14)26(23,24)21-15-7-3-4-8-15/h5-6,9-10,15,21H,3-4,7-8,11H2,1-2H3,(H,19,22)
• InChIKey: DDOVDRDAILFQBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopentylsulfamoyl)-N-[(dimethyl-1,2-oxazol-4-yl)methyl]benzamide
• IUPAC Traditional name: 3-(cyclopentylsulfamoyl)-N-[(dimethyl-1,2-oxazol-4-yl)methyl]benzamide
• Synonyms: 3-[(cyclopentylamino)sulfonyl]-N-[(3,5-dimethylisoxazol-4-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.873601
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6518618
• LogD (pH = 7.4): 1.6506298
• Log P: 1.6519209
• Molar Refractivity: 99.2967 cm^3
• Polarizability: 37.92058 Å^3
• Polar Surface Area: 101.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.38
• LOG S: -3.98
• Polar Surface Area: 101.3 Å^2
• Rotatable Bonds: 5