N-methyl-N-{4-[3-(1-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl}methanesulfonamide

• ChemBase ID: 832099
• Molecular Formular: C18H24N4O3S
• Molecular Mass: 376.47316
• Monoisotopic Mass: 376.15691165
• SMILES: S(=O)(=O)(N(c1ccc(C(=O)N2CC(c3n(ccn3)C)CCC2)cc1)C)C
• Canonical SMILES: O=C(c1ccc(cc1)N(S(=O)(=O)C)C)N1CCCC(C1)c1nccn1C
• InChI: InChI=1S/C18H24N4O3S/c1-20-12-10-19-17(20)15-5-4-11-22(13-15)18(23)14-6-8-16(9-7-14)21(2)26(3,24)25/h6-10,12,15H,4-5,11,13H2,1-3H3
• InChIKey: GZSQLAMBWAMDAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{4-[3-(1-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl}methanesulfonamide
• IUPAC Traditional name: N-methyl-N-{4-[3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl}methanesulfonamide
• Synonyms: N-methyl-N-(4-{[3-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]carbonyl}phenyl)methanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.16044818
• LogD (pH = 7.4): 0.49114946
• Log P: 0.5219339
• Molar Refractivity: 100.4441 cm^3
• Polarizability: 38.82853 Å^3
• Polar Surface Area: 75.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.26
• LOG S: -3.03
• Polar Surface Area: 75.51 Å^2
• Rotatable Bonds: 3