N-cyclobutyl-3-{[2-(2-methoxyethyl)piperidin-1-yl]sulfonyl}benzamide

• ChemBase ID: 378254
• Molecular Formular: C19H28N2O4S
• Molecular Mass: 380.50162
• Monoisotopic Mass: 380.17697839
• SMILES: S(=O)(=O)(N1C(CCOC)CCCC1)c1cc(C(=O)NC2CCC2)ccc1
• Canonical SMILES: COCCC1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)NC1CCC1
• InChI: InChI=1S/C19H28N2O4S/c1-25-13-11-17-9-2-3-12-21(17)26(23,24)18-10-4-6-15(14-18)19(22)20-16-7-5-8-16/h4,6,10,14,16-17H,2-3,5,7-9,11-13H2,1H3,(H,20,22)
• InChIKey: NVYMARALGFFYRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-3-{[2-(2-methoxyethyl)piperidin-1-yl]sulfonyl}benzamide
• IUPAC Traditional name: N-cyclobutyl-3-[2-(2-methoxyethyl)piperidin-1-ylsulfonyl]benzamide
• Synonyms: N-cyclobutyl-3-{[2-(2-methoxyethyl)piperidin-1-yl]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.112892
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9341955
• LogD (pH = 7.4): 1.9341956
• Log P: 1.9341958
• Molar Refractivity: 101.5177 cm^3
• Polarizability: 39.79541 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.36
• LOG S: -3.99
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 6