1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-phenylphenoxy)ethanone

C20H24N2O4S — CID 1151581

IUPAC1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-phenylphenoxy)ethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O4S/c1-2-27(24,25)22-14-12-21(13-15-22)20(23)16-26-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeyPXGYCKOGZVXTPP-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.23
Rot. Bonds6

About 1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-phenylphenoxy)ethanone

1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-phenylphenoxy)ethanone (PubChem CID 1151581) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-phenylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-phenylphenoxy)ethanone
PubChem CID1151581
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-phenylphenoxy)ethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O4S/c1-2-27(24,25)22-14-12-21(13-15-22)20(23)16-26-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeyPXGYCKOGZVXTPP-UHFFFAOYSA-N
XLogP2.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-phenylphenoxy)ethanone?
The IUPAC name of 1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-phenylphenoxy)ethanone (CID 1151581) is 1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-phenylphenoxy)ethanone.
What is the SMILES notation for 1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-phenylphenoxy)ethanone?
The canonical SMILES for 1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-phenylphenoxy)ethanone is CCS(=O)(=O)N1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-phenylphenoxy)ethanone?
The InChIKey is PXGYCKOGZVXTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-27(24,25)22-14-12-21(13-15-22)20(23)16-26-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3.
What are the key properties of 1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-phenylphenoxy)ethanone?
1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-phenylphenoxy)ethanone has a molecular weight of 388.49 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-phenylphenoxy)ethanone is sourced from PubChem (CID 1151581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).