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

C34H26F3N3O5S — CID 19457150

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

4-(furan-2-yl)-3-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19457150) has the molecular formula C34H26F3N3O5S and a molecular weight of 645.66 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(furan-2-yl)-3-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19457150
• Molecular Formula: C34H26F3N3O5S
• Molecular Weight: 645.66 g/mol
• Exact Mass: 645.15
• IUPAC Name: 4-(furan-2-yl)-3-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: CC(C)(c1ccccc1)c1ccc(OCc2ccc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)(F)F)cc(-c5ccco5)c34)o2)cc1
• InChI: InChI=1S/C34H26F3N3O5S/c1-33(2,19-7-4-3-5-8-19)20-10-12-21(13-11-20)44-18-22-14-15-25(45-22)31(42)40-28-27-23(24-9-6-16-43-24)17-26(34(35,36)37)39-32(27)46-29(28)30(38)41/h3-17H,18H2,1-2H3,(H2,38,41)(H,40,42)
• InChIKey: FISLHYXYSYRSTO-UHFFFAOYSA-N
• XLogP: 8.42
• TPSA: 120.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.66
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-(furan-2-yl)-3-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19457150) is 4-(furan-2-yl)-3-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]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-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 4-(furan-2-yl)-3-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CC(C)(c1ccccc1)c1ccc(OCc2ccc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)(F)F)cc(-c5ccco5)c34)o2)cc1.

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

The InChIKey is FISLHYXYSYRSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26F3N3O5S/c1-33(2,19-7-4-3-5-8-19)20-10-12-21(13-11-20)44-18-22-14-15-25(45-22)31(42)40-28-27-23(24-9-6-16-43-24)17-26(34(35,36)37)39-32(27)46-29(28)30(38)41/h3-17H,18H2,1-2H3,(H2,38,41)(H,40,42).

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

4-(furan-2-yl)-3-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 645.66 g/mol, XLogP of 8.42, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-yl)-3-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19457150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).