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

C26H18F3N3O6S — CID 19467671

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

4-(furan-2-yl)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19467671) has the molecular formula C26H18F3N3O6S and a molecular weight of 557.51 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(furan-2-yl)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19467671
• Molecular Formula: C26H18F3N3O6S
• Molecular Weight: 557.51 g/mol
• Exact Mass: 557.09
• IUPAC Name: 4-(furan-2-yl)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: COc1ccccc1OCc1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(-c4ccco4)c23)o1
• InChI: InChI=1S/C26H18F3N3O6S/c1-35-16-5-2-3-6-17(16)37-12-13-8-9-18(38-13)24(34)32-21-20-14(15-7-4-10-36-15)11-19(26(27,28)29)31-25(20)39-22(21)23(30)33/h2-11H,12H2,1H3,(H2,30,33)(H,32,34)
• InChIKey: UGFIBHCLPSKNJO-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 129.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.51
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-(furan-2-yl)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19467671) is 4-(furan-2-yl)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 4-(furan-2-yl)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is COc1ccccc1OCc1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(-c4ccco4)c23)o1.

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

The InChIKey is UGFIBHCLPSKNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N3O6S/c1-35-16-5-2-3-6-17(16)37-12-13-8-9-18(38-13)24(34)32-21-20-14(15-7-4-10-36-15)11-19(26(27,28)29)31-25(20)39-22(21)23(30)33/h2-11H,12H2,1H3,(H2,30,33)(H,32,34).

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

4-(furan-2-yl)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 557.51 g/mol, XLogP of 6.11, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-yl)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19467671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).