2-{5-[(1E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenyl-1H-imidazol-1-yl}-N-methylethane-1-sulfonamide

• ChemBase ID: 489796
• Molecular Formular: C19H21N3O3S
• Molecular Mass: 371.45334
• Monoisotopic Mass: 371.13036255
• SMILES: c1(c(ncn1CCS(=O)(=O)NC)c1ccccc1)/C(=C/c1occc1)/C
• Canonical SMILES: CNS(=O)(=O)CCn1cnc(c1/C(=C/c1ccco1)/C)c1ccccc1
• InChI: InChI=1S/C19H21N3O3S/c1-15(13-17-9-6-11-25-17)19-18(16-7-4-3-5-8-16)21-14-22(19)10-12-26(23,24)20-2/h3-9,11,13-14,20H,10,12H2,1-2H3/b15-13+
• InChIKey: MYASVKDQKURNPD-FYWRMAATSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{5-[(1E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenyl-1H-imidazol-1-yl}-N-methylethane-1-sulfonamide
• IUPAC Traditional name: 2-{5-[(1E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazol-1-yl}-N-methylethanesulfonamide
• Synonyms: 2-{5-[(E)-2-(2-furyl)-1-methylvinyl]-4-phenyl-1H-imidazol-1-yl}-N-methylethanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.29287
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.133954
• LogD (pH = 7.4): 2.3950531
• Log P: 2.4001017
• Molar Refractivity: 101.7973 cm^3
• Polarizability: 40.813282 Å^3
• Polar Surface Area: 77.13 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: 3.22
• LOG S: -4.66
• Polar Surface Area: 77.13 Å^2
• Rotatable Bonds: 6