Developing new anticancer agents aim in this investigation. Docking studies have helped us choose which chemicals to synthesize. PyRx 0.8 Autodock Vina software was used to conduct molecular docking studies on protein structure AGF183(PDB5IZQ), which was obtained from a protein data bank and improved using the BIOVIA discovery studio. following the synthesis of thiophene-2,5-carbohydrazide in a new sequence. To create the final compounds, such as thiophene-2,5-carbohydrazide derivatives (F1-F3), a nucleophilic substitution process on the carbonyl group was required. The seamless production of Schiff bases is made possible by this reaction. Final products were formed by treating diethyl thiophene -2,5-dicarboxylate to condensation with hydrazine hydrate and adding aromatic aldehyde. Synthesized derivatives exhibited the strongest antitumor efficacy when measured against the reference substance imatinib.MCF-7 Cell Line test revealed that Compounds F1 and F3 exhibited the strongest antitumor activity. Their IC50 values were 48.2 μg/ml, 51.15 μg/ml, and 49.00 μg/ml, respectively, compared to the reference value of Imatinib is 52.77 μg/ml and docking score of F1-F3 (-8.2,-10.2,-8.5 kcal/mol) and the standard drug methotrexate (-11.87 kcal/mol). These results suggest that the new chemicals may be harmful to MCF-7 cells used for human breast cancer.