N-methyl-2-(methylamino)-2-(thiophen-2-yl)-N-(thiophen-3-ylmethyl)acetamide

• ChemBase ID: 584079
• Molecular Formular: C13H16N2OS2
• Molecular Mass: 280.40894
• Monoisotopic Mass: 280.07040514
• SMILES: C(=O)(C(c1sccc1)NC)N(Cc1cscc1)C
• Canonical SMILES: CNC(C(=O)N(Cc1ccsc1)C)c1cccs1
• InChI: InChI=1S/C13H16N2OS2/c1-14-12(11-4-3-6-18-11)13(16)15(2)8-10-5-7-17-9-10/h3-7,9,12,14H,8H2,1-2H3
• InChIKey: XOLAKSGAECDMCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(methylamino)-2-(thiophen-2-yl)-N-(thiophen-3-ylmethyl)acetamide
• IUPAC Traditional name: N-methyl-2-(methylamino)-2-(thiophen-2-yl)-N-(thiophen-3-ylmethyl)acetamide
• Synonyms: N-methyl-2-(methylamino)-2-(2-thienyl)-N-(3-thienylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.03485574
• LogD (pH = 7.4): 1.6858953
• Log P: 2.27974
• Molar Refractivity: 75.3598 cm^3
• Polarizability: 29.17423 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.9
• LOG S: -1.78
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4