6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide

C24H19F2N3O4S — CID 4776641

About 6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 4776641) has the molecular formula C24H19F2N3O4S and a molecular weight of 483.50 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 4776641
• Molecular Formula: C24H19F2N3O4S
• Molecular Weight: 483.50 g/mol
• Exact Mass: 483.11
• IUPAC Name: 6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: COc1cc(OC)cc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccccc4)c23)c1
• InChI: InChI=1S/C24H19F2N3O4S/c1-32-14-8-13(9-15(10-14)33-2)23(31)29-19-18-16(12-6-4-3-5-7-12)11-17(21(25)26)28-24(18)34-20(19)22(27)30/h3-11,21H,1-2H3,(H2,27,30)(H,29,31)
• InChIKey: FBXKPDGYKGCZBT-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 103.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.50
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 4776641) is 6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide is COc1cc(OC)cc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccccc4)c23)c1.

What is the InChIKey of 6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is FBXKPDGYKGCZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O4S/c1-32-14-8-13(9-15(10-14)33-2)23(31)29-19-18-16(12-6-4-3-5-7-12)11-17(21(25)26)28-24(18)34-20(19)22(27)30/h3-11,21H,1-2H3,(H2,27,30)(H,29,31).

What are the key properties of 6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?

6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 4776641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).