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

• ChemBase编号: 465330
• 分子式: C18H24N2O4S
• 平均质量: 364.45916
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: N-methyl-N-({5-[(2-phenylmorpholin-4-yl)methyl]furan-2-yl}methyl)methanesulfonamide
• IUPAC传统名: N-methyl-N-({5-[(2-phenylmorpholin-4-yl)methyl]furan-2-yl}methyl)methanesulfonamide
• 别名: N-methyl-N-({5-[(2-phenylmorpholin-4-yl)methyl]-2-furyl}methyl)methanesulfonamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.2136205
• LogD (pH = 7.4): 1.0225556
• Log P: 1.12396
• 摩尔折射率: 96.6413 cm^3
• 极化性: 38.325108 Å^3
• 极化表面积: 62.99 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 1.72
• LOG S: -2.32
• 极化表面积: 62.99 Å^2
• 可自由旋转的化学键: 5