N-(2-methanesulfonamidoethyl)-2,3,5,6-tetramethylbenzamide

• ChemBase ID: 719777
• Molecular Formular: C14H22N2O3S
• Molecular Mass: 298.40108
• Monoisotopic Mass: 298.13511357
• SMILES: S(=O)(=O)(NCCNC(=O)c1c(c(cc(c1C)C)C)C)C
• Canonical SMILES: O=C(c1c(C)c(C)cc(c1C)C)NCCNS(=O)(=O)C
• InChI: InChI=1S/C14H22N2O3S/c1-9-8-10(2)12(4)13(11(9)3)14(17)15-6-7-16-20(5,18)19/h8,16H,6-7H2,1-5H3,(H,15,17)
• InChIKey: SJPBYBIUQBLBDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methanesulfonamidoethyl)-2,3,5,6-tetramethylbenzamide
• IUPAC Traditional name: N-(2-methanesulfonamidoethyl)-2,3,5,6-tetramethylbenzamide
• Synonyms: 2,3,5,6-tetramethyl-N-{2-[(methylsulfonyl)amino]ethyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.524849
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6181486
• LogD (pH = 7.4): 1.6181204
• Log P: 1.6181493
• Molar Refractivity: 81.1925 cm^3
• Polarizability: 31.080347 Å^3
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.69
• LOG S: -2.82
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 4