1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone

C17H18N2O4S2 — CID 26072779

IUPAC1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C17H18N2O4S2/c1-13(20)14-4-6-15(7-5-14)25(22,23)19-10-8-18(9-11-19)17(21)16-3-2-12-24-16/h2-7,12H,8-11H2,1H3
InChIKeyZZBMKNBATNYDMZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.10
Rot. Bonds4

About 1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone

1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone (PubChem CID 26072779) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
PubChem CID26072779
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C17H18N2O4S2/c1-13(20)14-4-6-15(7-5-14)25(22,23)19-10-8-18(9-11-19)17(21)16-3-2-12-24-16/h2-7,12H,8-11H2,1H3
InChIKeyZZBMKNBATNYDMZ-UHFFFAOYSA-N
XLogP2.10
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 60580836
thiophen-2-yl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 2441230
1-[4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 110646229
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
[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]-thiophen-2-ylmethanone
CID 17420704
[4-(chloromethylsulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 63664693
1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 26809221
1-[4-[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 34401527
N'-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]thiophene-2-carbohydrazide
CID 9479284
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1256130

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone (CID 26072779) is 1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is ZZBMKNBATNYDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-13(20)14-4-6-15(7-5-14)25(22,23)19-10-8-18(9-11-19)17(21)16-3-2-12-24-16/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 378.48 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 26072779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).