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

• ChemBase ID: 414233
• Molecular Formular: C17H24N4O4S
• Molecular Mass: 380.46186
• Monoisotopic Mass: 380.15182627
• SMILES: S(=O)(=O)(N(Cc1nc(on1)CC(C)C)C)c1cc(C(=O)N(C)C)ccc1
• Canonical SMILES: CC(Cc1onc(n1)CN(S(=O)(=O)c1cccc(c1)C(=O)N(C)C)C)C
• InChI: InChI=1S/C17H24N4O4S/c1-12(2)9-16-18-15(19-25-16)11-21(5)26(23,24)14-8-6-7-13(10-14)17(22)20(3)4/h6-8,10,12H,9,11H2,1-5H3
• InChIKey: IJCPECNHGVQCDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Log P: 1.9654014
• Molar Refractivity: 99.8377 cm^3
• Polarizability: 37.87547 Å^3
• Polar Surface Area: 96.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9654013
• LogD (pH = 7.4): 1.9654014

供应商提供(Chembridge)

• Log P: 1.4
• LOG S: -3.17
• Polar Surface Area: 96.61 Å^2
• Rotatable Bonds: 6
• H Acceptors: 6
• H Donor: 0