4-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one

C17H16N2O4S — CID 16864012

IUPAC4-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCS(=O)(=O)c1ccc(CC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O4S/c1-24(22,23)13-8-6-12(7-9-13)10-17(21)19-11-16(20)18-14-4-2-3-5-15(14)19/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyKIMRIDPGLDXTSZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.62
Rot. Bonds3

About 4-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 16864012) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID16864012
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name4-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCS(=O)(=O)c1ccc(CC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O4S/c1-24(22,23)13-8-6-12(7-9-13)10-17(21)19-11-16(20)18-14-4-2-3-5-15(14)19/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyKIMRIDPGLDXTSZ-UHFFFAOYSA-N
XLogP1.62
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxo-1-(toluene-4-sulfonyl)-1,2,3,4-4H-quinoxalin-2-yl)-N-phenyl-acetamide
CID 653087
N-(4-{[benzyl(Propyl)amino]methyl}phenyl)-2-[4-(Ethylsulfonyl)phenyl]acetamide
CID 72193937
N-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-methylpropanamide
CID 5309738
4-(4-Methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 2526913
2-amino-N-[(2R)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide
CID 10006735
1-[(2S)-4-(cyclopropanecarbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118080153
N-[4-[[cyclohexylmethyl(propyl)amino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738524
N-[4-(2-anilinoethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738526
N-[4-[[benzyl(methyl)amino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738558
N-[4-[[benzyl(2-methylpropyl)amino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738571
N-[4-[[benzyl(butyl)amino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738574
2-(4-ethylsulfonylphenyl)-N-[4-[2-(N-propylanilino)ethyl]phenyl]acetamide
CID 141738579

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one (CID 16864012) is 4-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one is CS(=O)(=O)c1ccc(CC(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is KIMRIDPGLDXTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-24(22,23)13-8-6-12(7-9-13)10-17(21)19-11-16(20)18-14-4-2-3-5-15(14)19/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of 4-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 344.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 16864012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).