[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate

C24H30N2O5S2 — CID 25162401

IUPAC[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CSc3cc(C)ccc3C)CC2)c(C)c1
InChIInChI=1S/C24H30N2O5S2/c1-17-6-8-22(20(4)13-17)33(29,30)26-11-9-25(10-12-26)23(27)15-31-24(28)16-32-21-14-18(2)5-7-19(21)3/h5-8,13-14H,9-12,15-16H2,1-4H3
InChIKeyOPJVGSVTZLPGEL-UHFFFAOYSA-N
MW490.65 g/mol
LogP3.09
Rot. Bonds7

About [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate

[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate (PubChem CID 25162401) has the molecular formula C24H30N2O5S2 and a molecular weight of 490.65 g/mol. Its IUPAC name is [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
PubChem CID25162401
Molecular FormulaC24H30N2O5S2
Molecular Weight490.65 g/mol
Exact Mass490.16
IUPAC Name[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CSc3cc(C)ccc3C)CC2)c(C)c1
InChIInChI=1S/C24H30N2O5S2/c1-17-6-8-22(20(4)13-17)33(29,30)26-11-9-25(10-12-26)23(27)15-31-24(28)16-32-21-14-18(2)5-7-19(21)3/h5-8,13-14H,9-12,15-16H2,1-4H3
InChIKeyOPJVGSVTZLPGEL-UHFFFAOYSA-N
XLogP3.09
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2,5-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 7661857
[2-[4-(Benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16495898
[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate
CID 40182391
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 4843143
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-phenylsulfanylacetate
CID 16285015
[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 25162487
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 25163100
1-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-[(4-methylsulfanylphenyl)methylsulfanyl]ethanone
CID 4794051
2-(2,5-Dimethylphenyl)sulfanyl-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 24819410
[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 25162548
[2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16495899
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 71954477

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate?
The IUPAC name of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate (CID 25162401) is [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate.
What is the SMILES notation for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate?
The canonical SMILES for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate is Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CSc3cc(C)ccc3C)CC2)c(C)c1.
What is the InChIKey of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate?
The InChIKey is OPJVGSVTZLPGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S2/c1-17-6-8-22(20(4)13-17)33(29,30)26-11-9-25(10-12-26)23(27)15-31-24(28)16-32-21-14-18(2)5-7-19(21)3/h5-8,13-14H,9-12,15-16H2,1-4H3.
What are the key properties of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate?
[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate has a molecular weight of 490.65 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate is sourced from PubChem (CID 25162401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).