[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate

C23H25F3N2O5S — CID 4858681

IUPAC[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)Cc3cccc(C(F)(F)F)c3)CC2)c(C)c1
InChIInChI=1S/C23H25F3N2O5S/c1-16-6-7-20(17(2)12-16)34(31,32)28-10-8-27(9-11-28)21(29)15-33-22(30)14-18-4-3-5-19(13-18)23(24,25)26/h3-7,12-13H,8-11,14-15H2,1-2H3
InChIKeyYECYIACOKAOYDR-UHFFFAOYSA-N
MW498.52 g/mol
LogP2.94
Rot. Bonds6

About [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate

[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 4858681) has the molecular formula C23H25F3N2O5S and a molecular weight of 498.52 g/mol. Its IUPAC name is [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID4858681
Molecular FormulaC23H25F3N2O5S
Molecular Weight498.52 g/mol
Exact Mass498.14
IUPAC Name[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)Cc3cccc(C(F)(F)F)c3)CC2)c(C)c1
InChIInChI=1S/C23H25F3N2O5S/c1-16-6-7-20(17(2)12-16)34(31,32)28-10-8-27(9-11-28)21(29)15-33-22(30)14-18-4-3-5-19(13-18)23(24,25)26/h3-7,12-13H,8-11,14-15H2,1-2H3
InChIKeyYECYIACOKAOYDR-UHFFFAOYSA-N
XLogP2.94
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.52
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate
CID 8019211
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 16271762
[2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 16525023
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 25163489
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate
CID 25163753
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-tert-butylbenzoate
CID 16263211
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-phenylbutanoate
CID 25162113
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 25162471
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 25162561
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-phenylacetate
CID 16280922
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 25162321
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-phenylpropanoate
CID 25163773

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate (CID 4858681) is [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate is Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)Cc3cccc(C(F)(F)F)c3)CC2)c(C)c1.
What is the InChIKey of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The InChIKey is YECYIACOKAOYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O5S/c1-16-6-7-20(17(2)12-16)34(31,32)28-10-8-27(9-11-28)21(29)15-33-22(30)14-18-4-3-5-19(13-18)23(24,25)26/h3-7,12-13H,8-11,14-15H2,1-2H3.
What are the key properties of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 498.52 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 4858681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).