942004-16-2
4-METHYL-2-[[(4-METHYLPHENYL)SULFONYL]AMINO]-N-(2-PHENYLETHYL)-5-THIAZOLECARBOXAMIDE
Name4-METHYL-2-[[(4-METHYLPHENYL)SULFONYL]AMINO]-N-(2-PHENYLETHYL)-5-THIAZOLECARBOXAMIDE
pro_formulaC20 H21 N3 O3 S2
1Identification
【Name】
4-METHYL-2-[[(4-METHYLPHENYL)SULFONYL]AMINO]-N-(2-PHENYLETHYL)-5-THIAZOLECARBOXAMIDE
【CAS】
【MDL】
MFCD09245618
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H21 N3 O3 S2
【pro_molWeight】
415.536
【Inchi】
InChI=1S/C20H21N3O3S2/c1-14-8-10-17(11-9-14)28(25,26)23-20-22-15(2)18(27-20)19(24)21-13-12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,21,24)(H,22,23)
【InChIKey】
InChIKey=XIDGITDPDRXJEA-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)Nc2nc(c(s2)C(=O)NCCc3ccccc3)C
【MOL File】
4-METHYL-2-[[(4-METH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:6
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-METHYL-2-[[(4-METHYLPHENYL)SULFONYL]AMINO]-N-(2-PHENYLETHYL)-5-THIAZOLECARBOXAMIDE.cml