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

C24H30N2O7S — CID 25163057

IUPAC[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1OC
InChIInChI=1S/C24H30N2O7S/c1-17-5-8-22(18(2)13-17)34(29,30)26-11-9-25(10-12-26)23(27)16-33-24(28)15-19-6-7-20(31-3)21(14-19)32-4/h5-8,13-14H,9-12,15-16H2,1-4H3
InChIKeyCFVREMNZNULKRG-UHFFFAOYSA-N
MW490.58 g/mol
LogP1.94
Rot. Bonds8

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

[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate (PubChem CID 25163057) has the molecular formula C24H30N2O7S and a molecular weight of 490.58 g/mol. Its IUPAC name is [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
PubChem CID25163057
Molecular FormulaC24H30N2O7S
Molecular Weight490.58 g/mol
Exact Mass490.18
IUPAC Name[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1OC
InChIInChI=1S/C24H30N2O7S/c1-17-5-8-22(18(2)13-17)34(29,30)26-11-9-25(10-12-26)23(27)16-33-24(28)15-19-6-7-20(31-3)21(14-19)32-4/h5-8,13-14H,9-12,15-16H2,1-4H3
InChIKeyCFVREMNZNULKRG-UHFFFAOYSA-N
XLogP1.94
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The IUPAC name of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate (CID 25163057) is [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The canonical SMILES for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1OC.
What is the InChIKey of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The InChIKey is CFVREMNZNULKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O7S/c1-17-5-8-22(18(2)13-17)34(29,30)26-11-9-25(10-12-26)23(27)16-33-24(28)15-19-6-7-20(31-3)21(14-19)32-4/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-(3,4-dimethoxyphenyl)acetate?
[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate has a molecular weight of 490.58 g/mol, XLogP of 1.94, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 25163057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).