2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

C13H13N3O2S — CID 20941785

IUPAC2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc(SCC(N)=O)c2=O)cc1
InChIInChI=1S/C13H13N3O2S/c1-9-2-4-10(5-3-9)16-7-6-15-12(13(16)18)19-8-11(14)17/h2-7H,8H2,1H3,(H2,14,17)
InChIKeyKHKPKNXRXQRLGT-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.12
Rot. Bonds4

About 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 20941785) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID20941785
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc(SCC(N)=O)c2=O)cc1
InChIInChI=1S/C13H13N3O2S/c1-9-2-4-10(5-3-9)16-7-6-15-12(13(16)18)19-8-11(14)17/h2-7H,8H2,1H3,(H2,14,17)
InChIKeyKHKPKNXRXQRLGT-UHFFFAOYSA-N
XLogP1.12
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 753421
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CID 646069
2-[(2,4-Dioxo-thiazolidin-5-yl)-p-tolyl-amino]-acetamide
CID 2998472
N-(4-Ethyl-phenyl)-2-[(3-phenyl-propylcarbamoyl)-methanesulfinyl]-acetamide
CID 3226744
N-butyl-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]acetamide
CID 3240307
N-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256717
N-(4-butylphenyl)-2-((1-(2-(dimethylamino)ethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 7385558
2-((4-(3-fluoro-4-methylphenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)-N-phenethylacetamide
CID 7386548
2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 7386552
2-((1-(2-(dimethylamino)ethyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)-N-(4-ethylphenyl)acetamide
CID 7588009
N-(4-Methylphenyl)-2-[({5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]acetamide
CID 8264012
2-[methyl-[2-[(4-methylbenzyl)thio]acetyl]amino]-N-(p-tolyl)acetamide
CID 9493396

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 20941785) is 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is Cc1ccc(-n2ccnc(SCC(N)=O)c2=O)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is KHKPKNXRXQRLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-9-2-4-10(5-3-9)16-7-6-15-12(13(16)18)19-8-11(14)17/h2-7H,8H2,1H3,(H2,14,17).
What are the key properties of 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide has a molecular weight of 275.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 20941785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).