2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

C23H24N2O4S — CID 1151528

IUPAC2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C23H24N2O4S/c1-18-5-4-8-21(15-18)29-17-23(26)24-11-13-25(14-12-24)30(27,28)22-10-9-19-6-2-3-7-20(19)16-22/h2-10,15-16H,11-14,17H2,1H3
InChIKeyKPZIYJKFXJTYQM-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.06
Rot. Bonds5

About 2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 1151528) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID1151528
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C23H24N2O4S/c1-18-5-4-8-21(15-18)29-17-23(26)24-11-13-25(14-12-24)30(27,28)22-10-9-19-6-2-3-7-20(19)16-22/h2-10,15-16H,11-14,17H2,1H3
InChIKeyKPZIYJKFXJTYQM-UHFFFAOYSA-N
XLogP3.06
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 26204258
1,3-dimethyl-5-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]sulfonylbenzimidazol-2-one
CID 19259544
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072046
2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 9495933
4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 45417208
3-methyl-6-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]sulfonyl-1,3-benzothiazol-2-one
CID 53112753
2-(2-hydroxyphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 4807182
3,3-dimethyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one
CID 17478579
(3-ethoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 52693720
[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-phenoxybutanoate
CID 42965883
1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 60592066
1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone
CID 91465779

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone (CID 1151528) is 2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone is Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is KPZIYJKFXJTYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-18-5-4-8-21(15-18)29-17-23(26)24-11-13-25(14-12-24)30(27,28)22-10-9-19-6-2-3-7-20(19)16-22/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of 2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone?
2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 424.52 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 1151528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).