N,N-dimethyl-3-{methyl[1-(4-methyl-1,3-thiazol-2-yl)ethyl]sulfamoyl}benzamide

• ChemBase ID: 421619
• Molecular Formular: C16H21N3O3S2
• Molecular Mass: 367.48624
• Monoisotopic Mass: 367.10243355
• SMILES: S(=O)(=O)(N(C(c1nc(cs1)C)C)C)c1cc(C(=O)N(C)C)ccc1
• Canonical SMILES: Cc1csc(n1)C(N(S(=O)(=O)c1cccc(c1)C(=O)N(C)C)C)C
• InChI: InChI=1S/C16H21N3O3S2/c1-11-10-23-15(17-11)12(2)19(5)24(21,22)14-8-6-7-13(9-14)16(20)18(3)4/h6-10,12H,1-5H3
• InChIKey: SEPHNHIFNWKARQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-{methyl[1-(4-methyl-1,3-thiazol-2-yl)ethyl]sulfamoyl}benzamide
• IUPAC Traditional name: N,N-dimethyl-3-{methyl[1-(4-methyl-1,3-thiazol-2-yl)ethyl]sulfamoyl}benzamide
• Synonyms: N,N-dimethyl-3-({methyl[1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino}sulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4810667
• LogD (pH = 7.4): 1.4811864
• Log P: 1.4811879
• Molar Refractivity: 95.1145 cm^3
• Polarizability: 36.829487 Å^3
• Polar Surface Area: 70.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.13
• LOG S: -3.7
• Polar Surface Area: 70.58 Å^2
• Rotatable Bonds: 4