N-methyl-N-({5-[(2-phenylmorpholin-4-yl)methyl]furan-2-yl}methyl)methanesulfonamide

• ChemBase ID: 465330
• Molecular Formular: C18H24N2O4S
• Molecular Mass: 364.45916
• Monoisotopic Mass: 364.14567826
• SMILES: S(=O)(=O)(N(Cc1oc(cc1)CN1CC(OCC1)c1ccccc1)C)C
• Canonical SMILES: CN(S(=O)(=O)C)Cc1ccc(o1)CN1CCOC(C1)c1ccccc1
• InChI: InChI=1S/C18H24N2O4S/c1-19(25(2,21)22)12-16-8-9-17(24-16)13-20-10-11-23-18(14-20)15-6-4-3-5-7-15/h3-9,18H,10-14H2,1-2H3
• InChIKey: AMODMDVBWZSMKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-({5-[(2-phenylmorpholin-4-yl)methyl]furan-2-yl}methyl)methanesulfonamide
• IUPAC Traditional name: N-methyl-N-({5-[(2-phenylmorpholin-4-yl)methyl]furan-2-yl}methyl)methanesulfonamide
• Synonyms: N-methyl-N-({5-[(2-phenylmorpholin-4-yl)methyl]-2-furyl}methyl)methanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.2136205
• LogD (pH = 7.4): 1.0225556
• Log P: 1.12396
• Molar Refractivity: 96.6413 cm^3
• Polarizability: 38.325108 Å^3
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.72
• LOG S: -2.32
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 5