1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone

C20H24N2O5S — CID 26809221

IUPAC1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)oc(C)c3C)CC2)cc1
InChIInChI=1S/C20H24N2O5S/c1-13-15(3)27-16(4)19(13)20(24)21-9-11-22(12-10-21)28(25,26)18-7-5-17(6-8-18)14(2)23/h5-8H,9-12H2,1-4H3
InChIKeyLBBYPTHEDMZIFY-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.55
Rot. Bonds4

About 1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone

1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone (PubChem CID 26809221) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
PubChem CID26809221
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)oc(C)c3C)CC2)cc1
InChIInChI=1S/C20H24N2O5S/c1-13-15(3)27-16(4)19(13)20(24)21-9-11-22(12-10-21)28(25,26)18-7-5-17(6-8-18)14(2)23/h5-8H,9-12H2,1-4H3
InChIKeyLBBYPTHEDMZIFY-UHFFFAOYSA-N
XLogP2.55
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 26765978
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 26786935
1-[4-[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 34401527
1-[4-[4-(4-methyl-3-methylsulfonylbenzoyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 46486971
(E)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 26072627
1-[4-[4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 25479541
1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 26072779
1-[4-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 18111865
1-[4-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 8623677
1-[4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 110646229
(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride
CID 119269185
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone (CID 26809221) is 1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)oc(C)c3C)CC2)cc1.
What is the InChIKey of 1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is LBBYPTHEDMZIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-13-15(3)27-16(4)19(13)20(24)21-9-11-22(12-10-21)28(25,26)18-7-5-17(6-8-18)14(2)23/h5-8H,9-12H2,1-4H3.
What are the key properties of 1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 404.49 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 26809221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).