2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone

C20H24N2O6S — CID 2052018

IUPAC2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cccc(O)c3)CC2)c(C)c1
InChIInChI=1S/C20H24N2O6S/c1-15-12-17(27-2)6-7-19(15)29(25,26)22-10-8-21(9-11-22)20(24)14-28-18-5-3-4-16(23)13-18/h3-7,12-13,23H,8-11,14H2,1-2H3
InChIKeyZEFZTZPWZLXDTH-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.62
Rot. Bonds6

About 2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone

2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 2052018) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID2052018
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cccc(O)c3)CC2)c(C)c1
InChIInChI=1S/C20H24N2O6S/c1-15-12-17(27-2)6-7-19(15)29(25,26)22-10-8-21(9-11-22)20(24)14-28-18-5-3-4-16(23)13-18/h3-7,12-13,23H,8-11,14H2,1-2H3
InChIKeyZEFZTZPWZLXDTH-UHFFFAOYSA-N
XLogP1.62
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(3-hydroxyphenoxy)ethanone
CID 2051838
1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110818820
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[(3-methoxyphenyl)methoxy]ethanone
CID 46489728
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 31734856
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072046
2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 43143553
3-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]-3-oxopropanoate
CID 2050396
2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 26419289
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(3-hydroxyphenoxy)ethanone
CID 4741117
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 25162159
2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 82915625

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone (CID 2052018) is 2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cccc(O)c3)CC2)c(C)c1.
What is the InChIKey of 2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is ZEFZTZPWZLXDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-15-12-17(27-2)6-7-19(15)29(25,26)22-10-8-21(9-11-22)20(24)14-28-18-5-3-4-16(23)13-18/h3-7,12-13,23H,8-11,14H2,1-2H3.
What are the key properties of 2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 420.49 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 2052018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).