N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide

C25H24F4N2O2S — CID 4596122

About N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide

N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide (PubChem CID 4596122) has the molecular formula C25H24F4N2O2S and a molecular weight of 492.54 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide
• PubChem CID: 4596122
• Molecular Formula: C25H24F4N2O2S
• Molecular Weight: 492.54 g/mol
• Exact Mass: 492.15
• IUPAC Name: N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide
• SMILES: CC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C25H24F4N2O2S/c1-17(2)31(24(33)19-7-9-20(10-8-19)25(27,28)29)16-23(32)30(15-22-4-3-13-34-22)14-18-5-11-21(26)12-6-18/h3-13,17H,14-16H2,1-2H3
• InChIKey: CVRFWNLTGLAXJS-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.54
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide?

The IUPAC name of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide (CID 4596122) is N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide?

The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide is CC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide?

The InChIKey is CVRFWNLTGLAXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N2O2S/c1-17(2)31(24(33)19-7-9-20(10-8-19)25(27,28)29)16-23(32)30(15-22-4-3-13-34-22)14-18-5-11-21(26)12-6-18/h3-13,17H,14-16H2,1-2H3.

What are the key properties of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide?

N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide has a molecular weight of 492.54 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 4596122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).