5-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methoxybenzamide

C23H21ClN2O3S — CID 33297612

About 5-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methoxybenzamide

5-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methoxybenzamide (PubChem CID 33297612) has the molecular formula C23H21ClN2O3S and a molecular weight of 440.95 g/mol. Its IUPAC name is 5-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: 5-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methoxybenzamide
• PubChem CID: 33297612
• Molecular Formula: C23H21ClN2O3S
• Molecular Weight: 440.95 g/mol
• Exact Mass: 440.10
• IUPAC Name: 5-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methoxybenzamide
• SMILES: COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C
• InChI: InChI=1S/C23H21ClN2O3S/c1-14-17(23(28)26-10-8-21-15(13-26)9-11-30-21)4-3-5-19(14)25-22(27)18-12-16(24)6-7-20(18)29-2/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,25,27)
• InChIKey: HIYHRUCHSMOXCV-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.95
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methoxybenzamide?

The IUPAC name of 5-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methoxybenzamide (CID 33297612) is 5-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methoxybenzamide.

What is the SMILES notation for 5-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methoxybenzamide?

The canonical SMILES for 5-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C.

What is the InChIKey of 5-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methoxybenzamide?

The InChIKey is HIYHRUCHSMOXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3S/c1-14-17(23(28)26-10-8-21-15(13-26)9-11-30-21)4-3-5-19(14)25-22(27)18-12-16(24)6-7-20(18)29-2/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,25,27).

What are the key properties of 5-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methoxybenzamide?

5-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methoxybenzamide has a molecular weight of 440.95 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methoxybenzamide is sourced from PubChem (CID 33297612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).