N-methyl-N-[(5-{[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}furan-2-yl)methyl]methanesulfonamide

• ChemBase ID: 513168
• Molecular Formular: C19H26N2O3S
• Molecular Mass: 362.48634
• Monoisotopic Mass: 362.1664137
• SMILES: S(=O)(=O)(N(Cc1oc(cc1)CN(C1c2c(CCC1)cccc2)C)C)C
• Canonical SMILES: CN(C1CCCc2c1cccc2)Cc1ccc(o1)CN(S(=O)(=O)C)C
• InChI: InChI=1S/C19H26N2O3S/c1-20(19-10-6-8-15-7-4-5-9-18(15)19)13-16-11-12-17(24-16)14-21(2)25(3,22)23/h4-5,7,9,11-12,19H,6,8,10,13-14H2,1-3H3
• InChIKey: MDRDZDMPAWJWCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(5-{[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}furan-2-yl)methyl]methanesulfonamide
• IUPAC Traditional name: N-methyl-N-[(5-{[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}furan-2-yl)methyl]methanesulfonamide
• Synonyms: N-methyl-N-[(5-{[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}-2-furyl)methyl]methanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6622928
• LogD (pH = 7.4): 1.0747881
• Log P: 2.2714863
• Molar Refractivity: 100.0784 cm^3
• Polarizability: 39.381367 Å^3
• Polar Surface Area: 53.76 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: 3.35
• LOG S: -3.7
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 5