2-(4-ethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C15H22N2O4S — CID 17249882

IUPAC2-(4-ethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCCc1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-13-4-6-14(7-5-13)21-12-15(18)16-8-10-17(11-9-16)22(2,19)20/h4-7H,3,8-12H2,1-2H3
InChIKeyVGIOQPMHQVYKJY-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.73
Rot. Bonds5

About 2-(4-ethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2-(4-ethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 17249882) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID17249882
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-(4-ethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCCc1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-13-4-6-14(7-5-13)21-12-15(18)16-8-10-17(11-9-16)22(2,19)20/h4-7H,3,8-12H2,1-2H3
InChIKeyVGIOQPMHQVYKJY-UHFFFAOYSA-N
XLogP0.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-ethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 17249882) is 2-(4-ethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-ethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-ethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone is CCc1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is VGIOQPMHQVYKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-13-4-6-14(7-5-13)21-12-15(18)16-8-10-17(11-9-16)22(2,19)20/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 2-(4-ethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2-(4-ethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 326.42 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 17249882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).