N-cyclopentyl-3-{methyl[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl}benzamide

• ChemBase ID: 474007
• Molecular Formular: C17H22N4O4S
• Molecular Mass: 378.44598
• Monoisotopic Mass: 378.1361762
• SMILES: S(=O)(=O)(N(Cc1nc(no1)C)C)c1cc(C(=O)NC2CCCC2)ccc1
• Canonical SMILES: Cc1noc(n1)CN(S(=O)(=O)c1cccc(c1)C(=O)NC1CCCC1)C
• InChI: InChI=1S/C17H22N4O4S/c1-12-18-16(25-20-12)11-21(2)26(23,24)15-9-5-6-13(10-15)17(22)19-14-7-3-4-8-14/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H,19,22)
• InChIKey: MIMSUKCHQVVEKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-{methyl[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl}benzamide
• IUPAC Traditional name: N-cyclopentyl-3-{methyl[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl}benzamide
• Synonyms: N-cyclopentyl-3-({methyl[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino}sulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.112766
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6289366
• LogD (pH = 7.4): 1.6289368
• Log P: 1.6289369
• Molar Refractivity: 97.5777 cm^3
• Polarizability: 37.163567 Å^3
• Polar Surface Area: 105.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.91
• LOG S: -3.59
• Polar Surface Area: 105.4 Å^2
• Rotatable Bonds: 5