1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone

C18H22N2O3S2 — CID 60580836

IUPAC1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(CCc3cccs3)CC2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-15(21)16-4-6-18(7-5-16)25(22,23)20-12-10-19(11-13-20)9-8-17-3-2-14-24-17/h2-7,14H,8-13H2,1H3
InChIKeyFWTSLMSJHCNYQJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.50
Rot. Bonds6

About 1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone

1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone (PubChem CID 60580836) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone
PubChem CID60580836
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(CCc3cccs3)CC2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-15(21)16-4-6-18(7-5-16)25(22,23)20-12-10-19(11-13-20)9-8-17-3-2-14-24-17/h2-7,14H,8-13H2,1H3
InChIKeyFWTSLMSJHCNYQJ-UHFFFAOYSA-N
XLogP2.50
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 110412144
1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 26072779
4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide
CID 26011944
1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 78788137
1-[4-[4-(3-phenoxypropyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 9044143
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 19258251
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 8922837
1-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 90534081
3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 55634478
N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 108569277
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 2458753
1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine
CID 3836701

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone (CID 60580836) is 1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCN(CCc3cccs3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is FWTSLMSJHCNYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-15(21)16-4-6-18(7-5-16)25(22,23)20-12-10-19(11-13-20)9-8-17-3-2-14-24-17/h2-7,14H,8-13H2,1H3.
What are the key properties of 1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone?
1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 378.52 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 60580836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).