N-{3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propyl}-4-methylbenzene-1-sulfonamide

• ChemBase ID: 372257
• Molecular Formular: C16H22N4O3S
• Molecular Mass: 350.43588
• Monoisotopic Mass: 350.14126158
• SMILES: S(=O)(=O)(c1ccc(cc1)C)NCCCNc1oc(nn1)C1CCC1
• Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)NCCCNc1nnc(o1)C1CCC1
• InChI: InChI=1S/C16H22N4O3S/c1-12-6-8-14(9-7-12)24(21,22)18-11-3-10-17-16-20-19-15(23-16)13-4-2-5-13/h6-9,13,18H,2-5,10-11H2,1H3,(H,17,20)
• InChIKey: SGAONHNIXNOLCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propyl}-4-methylbenzene-1-sulfonamide
• IUPAC Traditional name: N-{3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propyl}-4-methylbenzenesulfonamide
• Synonyms: N-{3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propyl}-4-methylbenzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.3944
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.6639452
• LogD (pH = 7.4): 1.6635619
• Log P: 1.6639521
• Molar Refractivity: 94.1418 cm^3
• Polarizability: 35.35004 Å^3
• Polar Surface Area: 97.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.26
• LOG S: -3.93
• Polar Surface Area: 97.12 Å^2
• Rotatable Bonds: 7