2-{[1-(3-methoxyphenyl)propan-2-yl]amino}-N,N-dimethylethane-1-sulfonamide

• ChemBase ID: 692897
• Molecular Formular: C14H24N2O3S
• Molecular Mass: 300.41696
• Monoisotopic Mass: 300.15076364
• SMILES: S(=O)(=O)(N(C)C)CCNC(Cc1cc(OC)ccc1)C
• Canonical SMILES: COc1cccc(c1)CC(NCCS(=O)(=O)N(C)C)C
• InChI: InChI=1S/C14H24N2O3S/c1-12(15-8-9-20(17,18)16(2)3)10-13-6-5-7-14(11-13)19-4/h5-7,11-12,15H,8-10H2,1-4H3
• InChIKey: XBIKIPMUVXGLSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[1-(3-methoxyphenyl)propan-2-yl]amino}-N,N-dimethylethane-1-sulfonamide
• IUPAC Traditional name: 2-{[1-(3-methoxyphenyl)propan-2-yl]amino}-N,N-dimethylethanesulfonamide
• Synonyms: 2-{[2-(3-methoxyphenyl)-1-methylethyl]amino}-N,N-dimethylethanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9406555
• LogD (pH = 7.4): -0.33160192
• Log P: 0.9719265
• Molar Refractivity: 80.9581 cm^3
• Polarizability: 32.499847 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.84
• LOG S: -1.95
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7