3-(4-ethoxyphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

C23H30N2O6S — CID 24819920

IUPAC3-(4-ethoxyphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCOc1ccc(OCCC(=O)N2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)cc1
InChIInChI=1S/C23H30N2O6S/c1-3-29-19-5-7-21(8-6-19)31-18-13-23(26)24-14-16-25(17-15-24)32(27,28)22-11-9-20(10-12-22)30-4-2/h5-12H,3-4,13-18H2,1-2H3
InChIKeyIOLCNGURJLKAKI-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.79
Rot. Bonds10

About 3-(4-ethoxyphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

3-(4-ethoxyphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 24819920) has the molecular formula C23H30N2O6S and a molecular weight of 462.57 g/mol. Its IUPAC name is 3-(4-ethoxyphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-ethoxyphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID24819920
Molecular FormulaC23H30N2O6S
Molecular Weight462.57 g/mol
Exact Mass462.18
IUPAC Name3-(4-ethoxyphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCOc1ccc(OCCC(=O)N2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)cc1
InChIInChI=1S/C23H30N2O6S/c1-3-29-19-5-7-21(8-6-19)31-18-13-23(26)24-14-16-25(17-15-24)32(27,28)22-11-9-20(10-12-22)30-4-2/h5-12H,3-4,13-18H2,1-2H3
InChIKeyIOLCNGURJLKAKI-UHFFFAOYSA-N
XLogP2.79
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-3-methylbutan-1-one
CID 717180
4-ethoxy-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 6471321
1-(Benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine
CID 23607722
Ethyl 4-[(2,5-diethoxyphenyl)sulfonyl]piperazine-1-carboxylate
CID 1260938
4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide
CID 3156718
4-ethoxy-N-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 3163377
2,3-Dihydro-1,4-benzodioxin-3-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 3782995
3-(2,5-Dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 7921207
1-(4-Methoxybenzenesulfonyl)-4-(4-methoxyphenoxy)piperidine
CID 16014129
1-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 24687869
1,4-Bis[(4-methoxyphenyl)sulfonyl]piperazine-2,5-dione
CID 145963779
Cyclopropyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 858314

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-ethoxyphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 24819920) is 3-(4-ethoxyphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-ethoxyphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-ethoxyphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is CCOc1ccc(OCCC(=O)N2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)cc1.
What is the InChIKey of 3-(4-ethoxyphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is IOLCNGURJLKAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S/c1-3-29-19-5-7-21(8-6-19)31-18-13-23(26)24-14-16-25(17-15-24)32(27,28)22-11-9-20(10-12-22)30-4-2/h5-12H,3-4,13-18H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
3-(4-ethoxyphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 462.57 g/mol, XLogP of 2.79, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 24819920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).