3-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C24H18F3N3O5S — CID 19455295

About 3-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19455295) has the molecular formula C24H18F3N3O5S and a molecular weight of 517.49 g/mol. Its IUPAC name is 3-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19455295
• Molecular Formula: C24H18F3N3O5S
• Molecular Weight: 517.49 g/mol
• Exact Mass: 517.09
• IUPAC Name: 3-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: CC(=O)c1ccc(OCc2ccc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)(F)F)cc(C)c34)o2)cc1
• InChI: InChI=1S/C24H18F3N3O5S/c1-11-9-17(24(25,26)27)29-23-18(11)19(20(36-23)21(28)32)30-22(33)16-8-7-15(35-16)10-34-14-5-3-13(4-6-14)12(2)31/h3-9H,10H2,1-2H3,(H2,28,32)(H,30,33)
• InChIKey: WYEKOZJGKIBZAQ-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 124.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.49
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19455295) is 3-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CC(=O)c1ccc(OCc2ccc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)(F)F)cc(C)c34)o2)cc1.

What is the InChIKey of 3-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is WYEKOZJGKIBZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O5S/c1-11-9-17(24(25,26)27)29-23-18(11)19(20(36-23)21(28)32)30-22(33)16-8-7-15(35-16)10-34-14-5-3-13(4-6-14)12(2)31/h3-9H,10H2,1-2H3,(H2,28,32)(H,30,33).

What are the key properties of 3-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

3-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 517.49 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19455295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).