1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one

C18H26N2O4S — CID 110818095

IUPAC1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C18H26N2O4S/c1-4-15(5-2)18(22)19-9-11-20(12-10-19)25(23,24)17-8-6-7-16(13-17)14(3)21/h6-8,13,15H,4-5,9-12H2,1-3H3
InChIKeyIUJXDNNCNSRIJP-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.16
Rot. Bonds6

About 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one

1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one (PubChem CID 110818095) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
PubChem CID110818095
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C18H26N2O4S/c1-4-15(5-2)18(22)19-9-11-20(12-10-19)25(23,24)17-8-6-7-16(13-17)14(3)21/h6-8,13,15H,4-5,9-12H2,1-3H3
InChIKeyIUJXDNNCNSRIJP-UHFFFAOYSA-N
XLogP2.16
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 17191200
2-ethyl-1-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110818097
N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide
CID 55936617
1-[4-(3-acetylphenyl)sulfonyl-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797800
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
CID 78780243
2-ethyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one
CID 110797979
1-[3-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanone
CID 63620570
N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 33263713
N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 34426748
1-[3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]ethanone
CID 2561934
1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 55595827
1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 90589462

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one?
The IUPAC name of 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one (CID 110818095) is 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one.
What is the SMILES notation for 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one?
The canonical SMILES for 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one is CCC(CC)C(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1.
What is the InChIKey of 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one?
The InChIKey is IUJXDNNCNSRIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-4-15(5-2)18(22)19-9-11-20(12-10-19)25(23,24)17-8-6-7-16(13-17)14(3)21/h6-8,13,15H,4-5,9-12H2,1-3H3.
What are the key properties of 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one?
1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one has a molecular weight of 366.48 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one is sourced from PubChem (CID 110818095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).