N-[(4-methanesulfonylmorpholin-2-yl)methyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 440213
• Molecular Formular: C17H22N4O4S
• Molecular Mass: 378.44598
• Monoisotopic Mass: 378.1361762
• SMILES: S(=O)(=O)(N1CC(OCC1)CNC(=O)Cn1c(ncc1)c1ccccc1)C
• Canonical SMILES: O=C(Cn1ccnc1c1ccccc1)NCC1OCCN(C1)S(=O)(=O)C
• InChI: InChI=1S/C17H22N4O4S/c1-26(23,24)21-9-10-25-15(12-21)11-19-16(22)13-20-8-7-18-17(20)14-5-3-2-4-6-14/h2-8,15H,9-13H2,1H3,(H,19,22)
• InChIKey: RKKLOJMMVREKTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methanesulfonylmorpholin-2-yl)methyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-[(4-methanesulfonylmorpholin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide
• Synonyms: N-{[4-(methylsulfonyl)-2-morpholinyl]methyl}-2-(2-phenyl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.961356
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.9826051
• LogD (pH = 7.4): -0.43890315
• Log P: -0.42021683
• Molar Refractivity: 106.4506 cm^3
• Polarizability: 38.662243 Å^3
• Polar Surface Area: 93.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.36
• LOG S: -2.96
• Polar Surface Area: 93.53 Å^2
• Rotatable Bonds: 5