2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide

C19H19N3O2S2 — CID 46325021

IUPAC2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CNC(=O)CSc2nc3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C19H19N3O2S2/c1-22-16-6-4-3-5-15(16)21-18(19(22)24)26-12-17(23)20-11-13-7-9-14(25-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyXZTWUIWIXDFPLA-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.06
Rot. Bonds6

About 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide

2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide (PubChem CID 46325021) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
PubChem CID46325021
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CNC(=O)CSc2nc3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C19H19N3O2S2/c1-22-16-6-4-3-5-15(16)21-18(19(22)24)26-12-17(23)20-11-13-7-9-14(25-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyXZTWUIWIXDFPLA-UHFFFAOYSA-N
XLogP3.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 46324939
2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 92869824
2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92869820
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 46325028
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 37053385
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
CID 46325057
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50780899
N-[(4-fluorophenyl)methyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329634
N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
CID 46325099
2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 50781668
N-[(4-methylphenyl)methyl]-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 43813192
N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3895819

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide (CID 46325021) is 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide is CSc1ccc(CNC(=O)CSc2nc3ccccc3n(C)c2=O)cc1.
What is the InChIKey of 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The InChIKey is XZTWUIWIXDFPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-22-16-6-4-3-5-15(16)21-18(19(22)24)26-12-17(23)20-11-13-7-9-14(25-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide is sourced from PubChem (CID 46325021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).