CAS 731826-80-5

4-Methyl 3-methyl-5-[[(phenylmethyl)amino]sulfonyl]-2,4-thiophenedicarboxylate

Description:

4-Methyl 3-methyl-5-[[(phenylmethyl)amino]sulfonyl]-2,4-thiophenedicarboxylate, with the CAS number 731826-80-5, is a synthetic organic compound characterized by its complex structure, which includes a thiophene ring and multiple functional groups. This compound features a sulfonamide moiety, which is known for its potential biological activity, particularly in medicinal chemistry. The presence of the methyl groups and the phenylmethylamino group contributes to its lipophilicity, potentially influencing its solubility and permeability in biological systems. The thiophene dicarboxylate structure may also impart unique electronic properties, making it of interest in various applications, including pharmaceuticals and agrochemicals. Additionally, the compound's sulfonyl group can participate in various chemical reactions, enhancing its versatility in synthetic pathways. Overall, this compound's unique structural features suggest potential utility in drug development and other chemical applications, although specific biological activities and properties would require further investigation through empirical studies.

Formula: C₁₅H₁₅NO₆S₂

InChI: InChI=1S/C15H15NO6S2/c1-9-11(14(19)22-2)15(23-12(9)13(17)18)24(20,21)16-8-10-6-4-3-5-7-10/h3-7,16H,8H2,1-2H3,(H,17,18)

InChI key: InChIKey=WTMXHYLCQYXPDX-UHFFFAOYSA-N

SMILES: S(NCC1=CC=CC=C1)(=O)(=O)C2=C(C(OC)=O)C(C)=C(C(O)=O)S2

Synonyms:

• 4-Methyl 3-methyl-5-[[(phenylmethyl)amino]sulfonyl]-2,4-thiophenedicarboxylate
• 2,4-Thiophenedicarboxylic acid, 3-methyl-5-[[(phenylmethyl)amino]sulfonyl]-, 4-methyl ester