4-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}-N-(2-methoxyethyl)benzamide

• ChemBase ID: 568809
• Molecular Formular: C17H27N3O5S
• Molecular Mass: 385.47838
• Monoisotopic Mass: 385.16714198
• SMILES: S(=O)(=O)(N1CCC(CC1)Oc1ccc(C(=O)NCCOC)cc1)N(C)C
• Canonical SMILES: COCCNC(=O)c1ccc(cc1)OC1CCN(CC1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C17H27N3O5S/c1-19(2)26(22,23)20-11-8-16(9-12-20)25-15-6-4-14(5-7-15)17(21)18-10-13-24-3/h4-7,16H,8-13H2,1-3H3,(H,18,21)
• InChIKey: BYQOTKPHRZOYTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}-N-(2-methoxyethyl)benzamide
• IUPAC Traditional name: 4-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}-N-(2-methoxyethyl)benzamide
• Synonyms: 4-({1-[(dimethylamino)sulfonyl]piperidin-4-yl}oxy)-N-(2-methoxyethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.032512
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.41704917
• LogD (pH = 7.4): -0.41704762
• Log P: -0.4170476
• Molar Refractivity: 99.4312 cm^3
• Polarizability: 39.121548 Å^3
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.35
• LOG S: -3.02
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 6