2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

C17H17ClN2O3S — CID 28861069

About 2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 28861069) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
• PubChem CID: 28861069
• Molecular Formula: C17H17ClN2O3S
• Molecular Weight: 364.85 g/mol
• Exact Mass: 364.06
• IUPAC Name: 2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
• SMILES: CCN1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)O)C1
• InChI: InChI=1S/C17H17ClN2O3S/c1-2-20-8-7-12-13(9-20)24-16(14(12)17(22)23)19-15(21)10-3-5-11(18)6-4-10/h3-6H,2,7-9H2,1H3,(H,19,21)(H,22,23)
• InChIKey: FCBBSLDQYKXQSY-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.85
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?

The IUPAC name of 2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (CID 28861069) is 2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.

What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?

The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is CCN1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)O)C1.

What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?

The InChIKey is FCBBSLDQYKXQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-2-20-8-7-12-13(9-20)24-16(14(12)17(22)23)19-15(21)10-3-5-11(18)6-4-10/h3-6H,2,7-9H2,1H3,(H,19,21)(H,22,23).

What are the key properties of 2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?

2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 364.85 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 28861069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).