2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone

C21H26N2O4S — CID 71904260

IUPAC2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H26N2O4S/c1-16-13-17(2)21(18(3)14-16)28(25,26)23-11-9-22(10-12-23)20(24)15-27-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyFOOMEBORGKGOHW-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.52
Rot. Bonds5

About 2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone

2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 71904260) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID71904260
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H26N2O4S/c1-16-13-17(2)21(18(3)14-16)28(25,26)23-11-9-22(10-12-23)20(24)15-27-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyFOOMEBORGKGOHW-UHFFFAOYSA-N
XLogP2.52
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-phenyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 7921552
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
cis-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 9230282
4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide
CID 55403236
2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 1151528
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone
CID 2634555
2-phenoxy-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 4812262
1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817632
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 26181380
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 26204258
N-methyl-N-(2-phenoxyethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27740937

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone (CID 71904260) is 2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone is Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2)c(C)c1.
What is the InChIKey of 2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is FOOMEBORGKGOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-13-17(2)21(18(3)14-16)28(25,26)23-11-9-22(10-12-23)20(24)15-27-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3.
What are the key properties of 2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone?
2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 402.52 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 71904260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).