3-(cyclobutylsulfamoyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

• ChemBase ID: 410102
• Molecular Formular: C17H20N4O4S
• Molecular Mass: 376.4301
• Monoisotopic Mass: 376.12052614
• SMILES: S(=O)(=O)(NC1CCC1)c1cc(C(=O)NCc2nc(no2)C2CC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NC1CCC1)NCc1onc(n1)C1CC1
• InChI: InChI=1S/C17H20N4O4S/c22-17(18-10-15-19-16(20-25-15)11-7-8-11)12-3-1-6-14(9-12)26(23,24)21-13-4-2-5-13/h1,3,6,9,11,13,21H,2,4-5,7-8,10H2,(H,18,22)
• InChIKey: WKTYKIVFXOXKHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclobutylsulfamoyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
• IUPAC Traditional name: 3-(cyclobutylsulfamoyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
• Synonyms: 3-[(cyclobutylamino)sulfonyl]-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.873283
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.6882911
• LogD (pH = 7.4): 1.6869757
• Log P: 1.688308
• Molar Refractivity: 95.4792 cm^3
• Polarizability: 36.452835 Å^3
• Polar Surface Area: 114.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.62
• LOG S: -2.47
• Polar Surface Area: 114.19 Å^2
• Rotatable Bonds: 6