2-(2-phenyl-1H-imidazol-1-yl)-N-[2-(pyrrolidine-1-sulfonyl)ethyl]acetamide

• ChemBase ID: 403163
• Molecular Formular: C17H22N4O3S
• Molecular Mass: 362.44658
• Monoisotopic Mass: 362.14126158
• SMILES: S(=O)(=O)(N1CCCC1)CCNC(=O)Cn1c(ncc1)c1ccccc1
• Canonical SMILES: O=C(Cn1ccnc1c1ccccc1)NCCS(=O)(=O)N1CCCC1
• InChI: InChI=1S/C17H22N4O3S/c22-16(18-9-13-25(23,24)21-10-4-5-11-21)14-20-12-8-19-17(20)15-6-2-1-3-7-15/h1-3,6-8,12H,4-5,9-11,13-14H2,(H,18,22)
• InChIKey: AHTPWKYNANZWGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenyl-1H-imidazol-1-yl)-N-[2-(pyrrolidine-1-sulfonyl)ethyl]acetamide
• IUPAC Traditional name: 2-(2-phenylimidazol-1-yl)-N-[2-(pyrrolidine-1-sulfonyl)ethyl]acetamide
• Synonyms: 2-(2-phenyl-1H-imidazol-1-yl)-N-[2-(1-pyrrolidinylsulfonyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.092323
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.26588508
• LogD (pH = 7.4): 0.27781692
• Log P: 0.29650322
• Molar Refractivity: 105.3707 cm^3
• Polarizability: 37.944603 Å^3
• Polar Surface Area: 84.3 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: 0.73
• LOG S: -2.47
• Polar Surface Area: 84.3 Å^2
• Rotatable Bonds: 6