6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one

C17H20N4O4S — CID 129336647

IUPAC6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one
SMILESCCN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C17H20N4O4S/c1-2-20-7-8-21(10-15(20)16-18-5-6-19-16)26(23,24)13-4-3-12-11-25-17(22)14(12)9-13/h3-6,9,15H,2,7-8,10-11H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyQZOUYLKEHLTKHL-HNNXBMFYSA-N
MW376.44 g/mol
LogP1.15
Rot. Bonds4

About 6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one

6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one (PubChem CID 129336647) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one
PubChem CID129336647
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one
SMILESCCN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C17H20N4O4S/c1-2-20-7-8-21(10-15(20)16-18-5-6-19-16)26(23,24)13-4-3-12-11-25-17(22)14(12)9-13/h3-6,9,15H,2,7-8,10-11H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyQZOUYLKEHLTKHL-HNNXBMFYSA-N
XLogP1.15
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-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

5-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 129329285
2-chloro-5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 128997381
(2R)-4-[(6-ethoxy-3-pyridinyl)sulfonyl]-1-ethyl-2-(1H-imidazol-2-yl)piperazine
CID 129333564
5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 129332574
3-ethyl-5-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine
CID 129335470
2-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-6-fluorobenzonitrile
CID 129334015
(2S)-1-ethyl-4-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-2-(1H-imidazol-2-yl)piperazine
CID 129341120
5-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 129337331
(2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine
CID 129340949
(2S)-4-(2-bromophenyl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129330517
4-(2-bromophenyl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 128996748
6-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonyl-3H-2-benzofuran-1-one
CID 129339619

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one?
The IUPAC name of 6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one (CID 129336647) is 6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one?
The canonical SMILES for 6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one is CCN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)C[C@H]1c1ncc[nH]1.
What is the InChIKey of 6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one?
The InChIKey is QZOUYLKEHLTKHL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-2-20-7-8-21(10-15(20)16-18-5-6-19-16)26(23,24)13-4-3-12-11-25-17(22)14(12)9-13/h3-6,9,15H,2,7-8,10-11H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of 6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one?
6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one has a molecular weight of 376.44 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 129336647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).