N,N-dimethyl-3-(5-methylthiophen-2-yl)-5-(morpholine-4-sulfonyl)benzamide

• ChemBase ID: 323907
• Molecular Formular: C18H22N2O4S2
• Molecular Mass: 394.50828
• Monoisotopic Mass: 394.10209919
• SMILES: S(=O)(=O)(c1cc(C(=O)N(C)C)cc(c2sc(cc2)C)c1)N1CCOCC1
• Canonical SMILES: Cc1ccc(s1)c1cc(cc(c1)S(=O)(=O)N1CCOCC1)C(=O)N(C)C
• InChI: InChI=1S/C18H22N2O4S2/c1-13-4-5-17(25-13)14-10-15(18(21)19(2)3)12-16(11-14)26(22,23)20-6-8-24-9-7-20/h4-5,10-12H,6-9H2,1-3H3
• InChIKey: JYDZJTFFNQVUNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-(5-methylthiophen-2-yl)-5-(morpholine-4-sulfonyl)benzamide
• IUPAC Traditional name: N,N-dimethyl-3-(5-methylthiophen-2-yl)-5-(morpholine-4-sulfonyl)benzamide
• Synonyms: N,N-dimethyl-3-(5-methyl-2-thienyl)-5-(4-morpholinylsulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.176355
• LogD (pH = 7.4): 2.176355
• Log P: 2.176355
• Molar Refractivity: 103.038 cm^3
• Polarizability: 40.83194 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.14
• LOG S: -3.47
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 3