[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

C23H28N2O6S — CID 25162345

IUPAC[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C23H28N2O6S/c1-17-4-9-21(18(2)14-17)32(28,29)25-12-10-24(11-13-25)22(26)16-31-23(27)15-19-5-7-20(30-3)8-6-19/h4-9,14H,10-13,15-16H2,1-3H3
InChIKeyHPUXXESUABSWPM-UHFFFAOYSA-N
MW460.55 g/mol
LogP1.93
Rot. Bonds7

About [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 25162345) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
PubChem CID25162345
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC Name[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C23H28N2O6S/c1-17-4-9-21(18(2)14-17)32(28,29)25-12-10-24(11-13-25)22(26)16-31-23(27)15-19-5-7-20(30-3)8-6-19/h4-9,14H,10-13,15-16H2,1-3H3
InChIKeyHPUXXESUABSWPM-UHFFFAOYSA-N
XLogP1.93
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

Phenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 2572948
Ethyl 4-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]sulfonylbenzoate
CID 3638375
ethyl 4-[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzoate
CID 6218127
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 16271762
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 16281991
2-(4-Acetylphenoxy)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 18284996
[2-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 24687153
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 25162314
[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 25162860
3-(2-Methylphenoxy)propionic acid [2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl] ester
CID 25163149
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-phenoxypropanoate
CID 25163150
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 16284735

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (CID 25162345) is [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1.
What is the InChIKey of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is HPUXXESUABSWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-17-4-9-21(18(2)14-17)32(28,29)25-12-10-24(11-13-25)22(26)16-31-23(27)15-19-5-7-20(30-3)8-6-19/h4-9,14H,10-13,15-16H2,1-3H3.
What are the key properties of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 460.55 g/mol, XLogP of 1.93, 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-(4-methoxyphenyl)acetate is sourced from PubChem (CID 25162345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).