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

C15H22N2O5S — CID 31688394

IUPAC2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCCOc1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C15H22N2O5S/c1-3-21-13-4-6-14(7-5-13)22-12-15(18)16-8-10-17(11-9-16)23(2,19)20/h4-7H,3,8-12H2,1-2H3
InChIKeyPGAOQAOLPXGKFE-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.57
Rot. Bonds6

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

2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 31688394) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID31688394
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCCOc1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C15H22N2O5S/c1-3-21-13-4-6-14(7-5-13)22-12-15(18)16-8-10-17(11-9-16)23(2,19)20/h4-7H,3,8-12H2,1-2H3
InChIKeyPGAOQAOLPXGKFE-UHFFFAOYSA-N
XLogP0.57
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31686501
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
2-(4-ethoxyphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 4820535
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 4822189
1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone
CID 134020442
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108533445
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547166
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 1151700
2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 55476136
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 55822311

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 31688394) is 2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone is CCOc1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is PGAOQAOLPXGKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-3-21-13-4-6-14(7-5-13)22-12-15(18)16-8-10-17(11-9-16)23(2,19)20/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 342.42 g/mol, XLogP of 0.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 31688394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).