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

• ChemBase ID: 510677
• Molecular Formular: C17H22N4O4S
• Molecular Mass: 378.44598
• Monoisotopic Mass: 378.1361762
• SMILES: S(=O)(=O)(N(Cc1nc(on1)C)CC)c1cc(C(=O)NC2CCC2)ccc1
• Canonical SMILES: CCN(S(=O)(=O)c1cccc(c1)C(=O)NC1CCC1)Cc1noc(n1)C
• InChI: InChI=1S/C17H22N4O4S/c1-3-21(11-16-18-12(2)25-20-16)26(23,24)15-9-4-6-13(10-15)17(22)19-14-7-5-8-14/h4,6,9-10,14H,3,5,7-8,11H2,1-2H3,(H,19,22)
• InChIKey: FBVOKCDOTFCIBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.112251
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5584816
• LogD (pH = 7.4): 1.5584817
• Log P: 1.5584818
• Molar Refractivity: 97.7253 cm^3
• Polarizability: 37.163925 Å^3
• Polar Surface Area: 105.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.88
• LOG S: -3.56
• Polar Surface Area: 105.4 Å^2
• Rotatable Bonds: 6