N-methyl-N-(2-{2-[2-(5-methylfuran-2-yl)phenyl]-1H-imidazol-1-yl}ethyl)methanesulfonamide

• ChemBase ID: 338541
• Molecular Formular: C18H21N3O3S
• Molecular Mass: 359.44264
• Monoisotopic Mass: 359.13036255
• SMILES: S(=O)(=O)(N(CCn1c(c2c(c3oc(cc3)C)cccc2)ncc1)C)C
• Canonical SMILES: Cc1ccc(o1)c1ccccc1c1nccn1CCN(S(=O)(=O)C)C
• InChI: InChI=1S/C18H21N3O3S/c1-14-8-9-17(24-14)15-6-4-5-7-16(15)18-19-10-11-21(18)13-12-20(2)25(3,22)23/h4-11H,12-13H2,1-3H3
• InChIKey: OWUDPVAZPNMNQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(2-{2-[2-(5-methylfuran-2-yl)phenyl]-1H-imidazol-1-yl}ethyl)methanesulfonamide
• IUPAC Traditional name: N-methyl-N-(2-{2-[2-(5-methylfuran-2-yl)phenyl]imidazol-1-yl}ethyl)methanesulfonamide
• Synonyms: N-methyl-N-(2-{2-[2-(5-methyl-2-furyl)phenyl]-1H-imidazol-1-yl}ethyl)methanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2431896
• LogD (pH = 7.4): 1.7358999
• Log P: 1.7508332
• Molar Refractivity: 107.5792 cm^3
• Polarizability: 39.664158 Å^3
• Polar Surface Area: 68.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.65
• LOG S: -4.08
• Polar Surface Area: 68.34 Å^2
• Rotatable Bonds: 5