3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

C26H30N2O2S — CID 20964448

About 3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 20964448) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is 3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
• PubChem CID: 20964448
• Molecular Formula: C26H30N2O2S
• Molecular Weight: 434.61 g/mol
• Exact Mass: 434.20
• IUPAC Name: 3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
• SMILES: CCc1ccc(NC(=O)N2CCc3c(sc(C)c3CC)C2c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C26H30N2O2S/c1-5-18-7-11-20(12-8-18)27-26(29)28-16-15-23-22(6-2)17(3)31-25(23)24(28)19-9-13-21(30-4)14-10-19/h7-14,24H,5-6,15-16H2,1-4H3,(H,27,29)
• InChIKey: JKTLJEBSYALSPJ-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.61
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?

The IUPAC name of 3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 20964448) is 3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

What is the SMILES notation for 3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?

The canonical SMILES for 3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is CCc1ccc(NC(=O)N2CCc3c(sc(C)c3CC)C2c2ccc(OC)cc2)cc1.

What is the InChIKey of 3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?

The InChIKey is JKTLJEBSYALSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2S/c1-5-18-7-11-20(12-8-18)27-26(29)28-16-15-23-22(6-2)17(3)31-25(23)24(28)19-9-13-21(30-4)14-10-19/h7-14,24H,5-6,15-16H2,1-4H3,(H,27,29).

What are the key properties of 3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?

3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide has a molecular weight of 434.61 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 20964448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).