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

C25H28N2O3S — CID 20964447

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

3-ethyl-N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 20964447) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 3-ethyl-N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-ethyl-N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
• PubChem CID: 20964447
• Molecular Formula: C25H28N2O3S
• Molecular Weight: 436.58 g/mol
• Exact Mass: 436.18
• IUPAC Name: 3-ethyl-N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
• SMILES: CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1OC)C2c1ccc(OC)cc1
• InChI: InChI=1S/C25H28N2O3S/c1-5-19-16(2)31-24-20(19)14-15-27(23(24)17-10-12-18(29-3)13-11-17)25(28)26-21-8-6-7-9-22(21)30-4/h6-13,23H,5,14-15H2,1-4H3,(H,26,28)
• InChIKey: ABABBEPSSYGDOB-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.58
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-ethyl-N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 20964447) is 3-ethyl-N-(2-methoxyphenyl)-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-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?

The canonical SMILES for 3-ethyl-N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1OC)C2c1ccc(OC)cc1.

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

The InChIKey is ABABBEPSSYGDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-5-19-16(2)31-24-20(19)14-15-27(23(24)17-10-12-18(29-3)13-11-17)25(28)26-21-8-6-7-9-22(21)30-4/h6-13,23H,5,14-15H2,1-4H3,(H,26,28).

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

3-ethyl-N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 20964447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).