N-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide

C24H21N5O3S — CID 2893960

IUPACN-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CN(c3cccc(C)c3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H21N5O3S/c1-16-6-5-7-19(14-16)28-15-29(24-23(28)26-21-8-3-4-9-22(21)27-24)33(31,32)20-12-10-18(11-13-20)25-17(2)30/h3-14H,15H2,1-2H3,(H,25,30)
InChIKeyZPZBPUBKNNOSRH-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.20
Rot. Bonds4

About N-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide

N-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide (PubChem CID 2893960) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is N-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide
PubChem CID2893960
Molecular FormulaC24H21N5O3S
Molecular Weight459.53 g/mol
Exact Mass459.14
IUPAC NameN-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CN(c3cccc(C)c3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H21N5O3S/c1-16-6-5-7-19(14-16)28-15-29(24-23(28)26-21-8-3-4-9-22(21)27-24)33(31,32)20-12-10-18(11-13-20)25-17(2)30/h3-14H,15H2,1-2H3,(H,25,30)
InChIKeyZPZBPUBKNNOSRH-UHFFFAOYSA-N
XLogP4.20
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide with MolForge

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Related Compounds

2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide
CID 87674161
N-[3-[(1-naphthalen-2-yl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]hydroxylamine
CID 88900601
3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline
CID 2332798
ethyl 3-[4-(4-acetamidophenyl)sulfonylpiperazin-1-yl]quinoxaline-2-carboxylate
CID 46093646
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561834
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528
N-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 1455381
N-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide
CID 146541441
N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986001
N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide
CID 90560100
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
CID 2010612

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide (CID 2893960) is N-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CN(c3cccc(C)c3)c3nc4ccccc4nc32)cc1.
What is the InChIKey of N-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide?
The InChIKey is ZPZBPUBKNNOSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S/c1-16-6-5-7-19(14-16)28-15-29(24-23(28)26-21-8-3-4-9-22(21)27-24)33(31,32)20-12-10-18(11-13-20)25-17(2)30/h3-14H,15H2,1-2H3,(H,25,30).
What are the key properties of N-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide?
N-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide has a molecular weight of 459.53 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 2893960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).