N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylphenyl]acetamide

C21H22F3N3O2S — CID 34786928

About N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylphenyl]acetamide

N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylphenyl]acetamide (PubChem CID 34786928) has the molecular formula C21H22F3N3O2S and a molecular weight of 437.49 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylphenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylphenyl]acetamide
• PubChem CID: 34786928
• Molecular Formula: C21H22F3N3O2S
• Molecular Weight: 437.49 g/mol
• Exact Mass: 437.14
• IUPAC Name: N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylphenyl]acetamide
• SMILES: CC(=O)Nc1ccc(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1
• InChI: InChI=1S/C21H22F3N3O2S/c1-15(28)25-17-5-7-19(8-6-17)30-14-20(29)27-11-9-26(10-12-27)18-4-2-3-16(13-18)21(22,23)24/h2-8,13H,9-12,14H2,1H3,(H,25,28)
• InChIKey: IRMXOXGUMZIJKS-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.49
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylphenyl]acetamide?

The IUPAC name of N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylphenyl]acetamide (CID 34786928) is N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylphenyl]acetamide.

What is the SMILES notation for N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylphenyl]acetamide?

The canonical SMILES for N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1.

What is the InChIKey of N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylphenyl]acetamide?

The InChIKey is IRMXOXGUMZIJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O2S/c1-15(28)25-17-5-7-19(8-6-17)30-14-20(29)27-11-9-26(10-12-27)18-4-2-3-16(13-18)21(22,23)24/h2-8,13H,9-12,14H2,1H3,(H,25,28).

What are the key properties of N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylphenyl]acetamide?

N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylphenyl]acetamide has a molecular weight of 437.49 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 34786928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).