N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-[4-(propane-1-sulfonyl)morpholin-3-yl]acetamide

• ChemBase ID: 688760
• Molecular Formular: C16H26N2O4S2
• Molecular Mass: 374.51864
• Monoisotopic Mass: 374.13339932
• SMILES: S(=O)(=O)(N1C(CC(=O)N(Cc2sc(cc2)C)C)COCC1)CCC
• Canonical SMILES: CCCS(=O)(=O)N1CCOCC1CC(=O)N(Cc1ccc(s1)C)C
• InChI: InChI=1S/C16H26N2O4S2/c1-4-9-24(20,21)18-7-8-22-12-14(18)10-16(19)17(3)11-15-6-5-13(2)23-15/h5-6,14H,4,7-12H2,1-3H3
• InChIKey: SDVMZBLRAKNMDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-[4-(propane-1-sulfonyl)morpholin-3-yl]acetamide
• IUPAC Traditional name: N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-[4-(propane-1-sulfonyl)morpholin-3-yl]acetamide
• Synonyms: N-methyl-N-[(5-methyl-2-thienyl)methyl]-2-[4-(propylsulfonyl)-3-morpholinyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4235096
• LogD (pH = 7.4): 1.4235097
• Log P: 1.4235097
• Molar Refractivity: 94.9598 cm^3
• Polarizability: 37.56459 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.49
• LOG S: -3.2
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 6