N-methyl-4-sulfamoyl-N-[1-(thiophen-2-yl)ethyl]butanamide

• ChemBase ID: 849073
• Molecular Formular: C11H18N2O3S2
• Molecular Mass: 290.40222
• Monoisotopic Mass: 290.07588445
• SMILES: S(=O)(=O)(N)CCCC(=O)N(C(c1sccc1)C)C
• Canonical SMILES: O=C(N(C(c1cccs1)C)C)CCCS(=O)(=O)N
• InChI: InChI=1S/C11H18N2O3S2/c1-9(10-5-3-7-17-10)13(2)11(14)6-4-8-18(12,15)16/h3,5,7,9H,4,6,8H2,1-2H3,(H2,12,15,16)
• InChIKey: LYXTZHPCSYNTCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-sulfamoyl-N-[1-(thiophen-2-yl)ethyl]butanamide
• IUPAC Traditional name: N-methyl-4-sulfamoyl-N-[1-(thiophen-2-yl)ethyl]butanamide
• Synonyms: 4-(aminosulfonyl)-N-methyl-N-[1-(2-thienyl)ethyl]butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.700947
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.31493568
• LogD (pH = 7.4): 0.31491673
• Log P: 0.31493598
• Molar Refractivity: 71.2666 cm^3
• Polarizability: 28.475883 Å^3
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.08
• LOG S: -2.7
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 6