N-[4-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]-2-phenylacetamide

C23H15F7N2O2S — CID 23101565

About N-[4-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]-2-phenylacetamide

N-[4-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]-2-phenylacetamide (PubChem CID 23101565) has the molecular formula C23H15F7N2O2S and a molecular weight of 516.44 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[4-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]-2-phenylacetamide
• PubChem CID: 23101565
• Molecular Formula: C23H15F7N2O2S
• Molecular Weight: 516.44 g/mol
• Exact Mass: 516.07
• IUPAC Name: N-[4-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]-2-phenylacetamide
• SMILES: O=C(Cc1ccccc1)Nc1ccc(SCC(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1
• InChI: InChI=1S/C23H15F7N2O2S/c24-18-17(23(28,29)30)19(25)21(27)22(20(18)26)32-16(34)11-35-14-8-6-13(7-9-14)31-15(33)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,31,33)(H,32,34)
• InChIKey: GBCABWSAGPFJND-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.44
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]-2-phenylacetamide?

The IUPAC name of N-[4-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]-2-phenylacetamide (CID 23101565) is N-[4-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]-2-phenylacetamide.

What is the SMILES notation for N-[4-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]-2-phenylacetamide?

The canonical SMILES for N-[4-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(SCC(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1.

What is the InChIKey of N-[4-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]-2-phenylacetamide?

The InChIKey is GBCABWSAGPFJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F7N2O2S/c24-18-17(23(28,29)30)19(25)21(27)22(20(18)26)32-16(34)11-35-14-8-6-13(7-9-14)31-15(33)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,31,33)(H,32,34).

What are the key properties of N-[4-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]-2-phenylacetamide?

N-[4-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]-2-phenylacetamide has a molecular weight of 516.44 g/mol, XLogP of 6.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]-2-phenylacetamide is sourced from PubChem (CID 23101565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).