5-[3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C24H21FN2O3S — CID 72680323

About 5-[3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-[3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 72680323) has the molecular formula C24H21FN2O3S and a molecular weight of 436.51 g/mol. Its IUPAC name is 5-[3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
• PubChem CID: 72680323
• Molecular Formula: C24H21FN2O3S
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.13
• IUPAC Name: 5-[3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
• SMILES: Cc1ccc(C(=Cc2cccc(F)c2)C(=O)N2CCc3sc(C(=O)NO)cc3C2)cc1
• InChI: InChI=1S/C24H21FN2O3S/c1-15-5-7-17(8-6-15)20(12-16-3-2-4-19(25)11-16)24(29)27-10-9-21-18(14-27)13-22(31-21)23(28)26-30/h2-8,11-13,30H,9-10,14H2,1H3,(H,26,28)
• InChIKey: FMKKHSNGGMCGRY-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?

The IUPAC name of 5-[3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 72680323) is 5-[3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

What is the SMILES notation for 5-[3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for 5-[3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is Cc1ccc(C(=Cc2cccc(F)c2)C(=O)N2CCc3sc(C(=O)NO)cc3C2)cc1.

What is the InChIKey of 5-[3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?

The InChIKey is FMKKHSNGGMCGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3S/c1-15-5-7-17(8-6-15)20(12-16-3-2-4-19(25)11-16)24(29)27-10-9-21-18(14-27)13-22(31-21)23(28)26-30/h2-8,11-13,30H,9-10,14H2,1H3,(H,26,28).

What are the key properties of 5-[3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?

5-[3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 72680323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).