2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone

C16H24N2O5S — CID 1151700

IUPAC2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)COc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H24N2O5S/c1-3-12-24(20,21)18-10-8-17(9-11-18)16(19)13-23-15-6-4-14(22-2)5-7-15/h4-7H,3,8-13H2,1-2H3
InChIKeyQDKMYVPPMXRVPD-UHFFFAOYSA-N
MW356.44 g/mol
LogP0.96
Rot. Bonds7

About 2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone

2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone (PubChem CID 1151700) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
PubChem CID1151700
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)COc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H24N2O5S/c1-3-12-24(20,21)18-10-8-17(9-11-18)16(19)13-23-15-6-4-14(22-2)5-7-15/h4-7H,3,8-13H2,1-2H3
InChIKeyQDKMYVPPMXRVPD-UHFFFAOYSA-N
XLogP0.96
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-1-(4-propylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 110798767
2-phenoxy-1-(4-propylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 110798756
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 1072057
2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050601
2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 159017557
2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31688394
(4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804828
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
N,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide
CID 110365995
1-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110346697
1-(4-butylsulfonyl-1,4-diazepan-1-yl)-2-(4-methoxyphenyl)ethanone
CID 110359182
1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 53078931

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone (CID 1151700) is 2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone is CCCS(=O)(=O)N1CCN(C(=O)COc2ccc(OC)cc2)CC1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is QDKMYVPPMXRVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-3-12-24(20,21)18-10-8-17(9-11-18)16(19)13-23-15-6-4-14(22-2)5-7-15/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 356.44 g/mol, XLogP of 0.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 1151700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).