955677-98-2
2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-N-[2-(4-METHOXYPHENYL)ETHYL]-4-METHYL-5-THIAZOLECARBOXAMIDE
Name2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-N-[2-(4-METHOXYPHENYL)ETHYL]-4-METHYL-5-THIAZOLECARBOXAMIDE
pro_formulaC22 H25 N3 O4 S2
1Identification
【Name】
2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-N-[2-(4-METHOXYPHENYL)ETHYL]-4-METHYL-5-THIAZOLECARBOXAMIDE
【CAS】
【MDL】
MFCD15528400
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H25 N3 O4 S2
【pro_molWeight】
459.589
【Inchi】
InChI=1S/C22H25N3O4S2/c1-14-5-10-19(15(2)13-14)31(27,28)25-22-24-16(3)20(30-22)21(26)23-12-11-17-6-8-18(29-4)9-7-17/h5-10,13H,11-12H2,1-4H3,(H,23,26)(H,24,25)
【InChIKey】
InChIKey=IBTOWQMGJLWPFI-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C)S(=O)(=O)Nc2nc(c(s2)C(=O)NCCc3ccc(cc3)OC)C
【MOL File】
2-[[(2,4-DIMETHYLPHE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:7
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-N-[2-(4-METHOXYPHENYL)ETHYL]-4-METHYL-5-THIAZOLECARBOXAMIDE.cml