N-[2-(8-methyl-4-oxo-6,7-dihydrofuro[3,2-f]indolizin-8-yl)phenyl]-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide

C24H19F3N2O3S — CID 143657237

About N-[2-(8-methyl-4-oxo-6,7-dihydrofuro[3,2-f]indolizin-8-yl)phenyl]-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide

N-[2-(8-methyl-4-oxo-6,7-dihydrofuro[3,2-f]indolizin-8-yl)phenyl]-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide (PubChem CID 143657237) has the molecular formula C24H19F3N2O3S and a molecular weight of 472.49 g/mol. Its IUPAC name is N-[2-(8-methyl-4-oxo-6,7-dihydrofuro[3,2-f]indolizin-8-yl)phenyl]-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide.

Molecular Properties

• Compound Name: N-[2-(8-methyl-4-oxo-6,7-dihydrofuro[3,2-f]indolizin-8-yl)phenyl]-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide
• PubChem CID: 143657237
• Molecular Formula: C24H19F3N2O3S
• Molecular Weight: 472.49 g/mol
• Exact Mass: 472.11
• IUPAC Name: N-[2-(8-methyl-4-oxo-6,7-dihydrofuro[3,2-f]indolizin-8-yl)phenyl]-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide
• SMILES: CC1(c2ccccc2N(C=O)Cc2ccc(C(F)(F)F)s2)CCn2c1cc1occc1c2=O
• InChI: InChI=1S/C24H19F3N2O3S/c1-23(9-10-29-20(23)12-19-16(22(29)31)8-11-32-19)17-4-2-3-5-18(17)28(14-30)13-15-6-7-21(33-15)24(25,26)27/h2-8,11-12,14H,9-10,13H2,1H3
• InChIKey: PYTFQJJFBYEFKD-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 55.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.49
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methyl-4-oxo-6,7-dihydrofuro[3,2-f]indolizin-8-yl)phenyl]-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide?

The IUPAC name of N-[2-(8-methyl-4-oxo-6,7-dihydrofuro[3,2-f]indolizin-8-yl)phenyl]-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide (CID 143657237) is N-[2-(8-methyl-4-oxo-6,7-dihydrofuro[3,2-f]indolizin-8-yl)phenyl]-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide.

What is the SMILES notation for N-[2-(8-methyl-4-oxo-6,7-dihydrofuro[3,2-f]indolizin-8-yl)phenyl]-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide?

The canonical SMILES for N-[2-(8-methyl-4-oxo-6,7-dihydrofuro[3,2-f]indolizin-8-yl)phenyl]-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide is CC1(c2ccccc2N(C=O)Cc2ccc(C(F)(F)F)s2)CCn2c1cc1occc1c2=O.

What is the InChIKey of N-[2-(8-methyl-4-oxo-6,7-dihydrofuro[3,2-f]indolizin-8-yl)phenyl]-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide?

The InChIKey is PYTFQJJFBYEFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O3S/c1-23(9-10-29-20(23)12-19-16(22(29)31)8-11-32-19)17-4-2-3-5-18(17)28(14-30)13-15-6-7-21(33-15)24(25,26)27/h2-8,11-12,14H,9-10,13H2,1H3.

What are the key properties of N-[2-(8-methyl-4-oxo-6,7-dihydrofuro[3,2-f]indolizin-8-yl)phenyl]-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide?

N-[2-(8-methyl-4-oxo-6,7-dihydrofuro[3,2-f]indolizin-8-yl)phenyl]-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide has a molecular weight of 472.49 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(8-methyl-4-oxo-6,7-dihydrofuro[3,2-f]indolizin-8-yl)phenyl]-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide is sourced from PubChem (CID 143657237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).