N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C26H27N3O3S2 — CID 46559191

About N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 46559191) has the molecular formula C26H27N3O3S2 and a molecular weight of 493.65 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
• PubChem CID: 46559191
• Molecular Formula: C26H27N3O3S2
• Molecular Weight: 493.65 g/mol
• Exact Mass: 493.15
• IUPAC Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
• SMILES: Cc1c(NC(=O)C2CCCN(C(=O)c3cccs3)C2)cccc1C(=O)N1CCc2sccc2C1
• InChI: InChI=1S/C26H27N3O3S2/c1-17-20(25(31)29-12-9-22-18(15-29)10-14-34-22)6-2-7-21(17)27-24(30)19-5-3-11-28(16-19)26(32)23-8-4-13-33-23/h2,4,6-8,10,13-14,19H,3,5,9,11-12,15-16H2,1H3,(H,27,30)
• InChIKey: CWOMBLYLYZEQRT-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.65
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?

The IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 46559191) is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

What is the SMILES notation for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?

The canonical SMILES for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is Cc1c(NC(=O)C2CCCN(C(=O)c3cccs3)C2)cccc1C(=O)N1CCc2sccc2C1.

What is the InChIKey of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?

The InChIKey is CWOMBLYLYZEQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S2/c1-17-20(25(31)29-12-9-22-18(15-29)10-14-34-22)6-2-7-21(17)27-24(30)19-5-3-11-28(16-19)26(32)23-8-4-13-33-23/h2,4,6-8,10,13-14,19H,3,5,9,11-12,15-16H2,1H3,(H,27,30).

What are the key properties of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 493.65 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46559191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).