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

C24H19F3N2O5S — CID 59124624

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

2-[(3-methoxybenzoyl)amino]-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 59124624) has the molecular formula C24H19F3N2O5S and a molecular weight of 504.49 g/mol. Its IUPAC name is 2-[(3-methoxybenzoyl)amino]-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(3-methoxybenzoyl)amino]-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
• PubChem CID: 59124624
• Molecular Formula: C24H19F3N2O5S
• Molecular Weight: 504.49 g/mol
• Exact Mass: 504.10
• IUPAC Name: 2-[(3-methoxybenzoyl)amino]-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
• SMILES: COc1cccc(C(=O)Nc2sc3c(c2C(=O)O)CCN(C(=O)c2ccccc2C(F)(F)F)C3)c1
• InChI: InChI=1S/C24H19F3N2O5S/c1-34-14-6-4-5-13(11-14)20(30)28-21-19(23(32)33)16-9-10-29(12-18(16)35-21)22(31)15-7-2-3-8-17(15)24(25,26)27/h2-8,11H,9-10,12H2,1H3,(H,28,30)(H,32,33)
• InChIKey: PYZOJXPJWCTCQB-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 95.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.49
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(3-methoxybenzoyl)amino]-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (CID 59124624) is 2-[(3-methoxybenzoyl)amino]-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.

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

The canonical SMILES for 2-[(3-methoxybenzoyl)amino]-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is COc1cccc(C(=O)Nc2sc3c(c2C(=O)O)CCN(C(=O)c2ccccc2C(F)(F)F)C3)c1.

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

The InChIKey is PYZOJXPJWCTCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O5S/c1-34-14-6-4-5-13(11-14)20(30)28-21-19(23(32)33)16-9-10-29(12-18(16)35-21)22(31)15-7-2-3-8-17(15)24(25,26)27/h2-8,11H,9-10,12H2,1H3,(H,28,30)(H,32,33).

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

2-[(3-methoxybenzoyl)amino]-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 504.49 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-methoxybenzoyl)amino]-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 59124624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).