N-(3-{[(1-methylpiperidin-3-yl)methyl]sulfamoyl}phenyl)acetamide

• ChemBase ID: 821242
• Molecular Formular: C15H23N3O3S
• Molecular Mass: 325.42642
• Monoisotopic Mass: 325.14601261
• SMILES: S(=O)(=O)(c1cc(NC(=O)C)ccc1)NCC1CN(CCC1)C
• Canonical SMILES: CN1CCCC(C1)CNS(=O)(=O)c1cccc(c1)NC(=O)C
• InChI: InChI=1S/C15H23N3O3S/c1-12(19)17-14-6-3-7-15(9-14)22(20,21)16-10-13-5-4-8-18(2)11-13/h3,6-7,9,13,16H,4-5,8,10-11H2,1-2H3,(H,17,19)
• InChIKey: CVEQHQGRBPWBFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-{[(1-methylpiperidin-3-yl)methyl]sulfamoyl}phenyl)acetamide
• IUPAC Traditional name: N-(3-{[(1-methylpiperidin-3-yl)methyl]sulfamoyl}phenyl)acetamide
• Synonyms: N-[3-({[(1-methylpiperidin-3-yl)methyl]amino}sulfonyl)phenyl]acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 0.42
• LOG S: -1.93
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 2

JChem

• Molar Refractivity: 88.1459 cm^3
• Polarizability: 34.18723 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 10.036042
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.9486796
• LogD (pH = 7.4): -0.18034871
• Log P: 0.4880898