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

C20H19N3O3S — CID 16956698

IUPACN-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1nccn(-c2ccc(C)cc2)c1=O
InChIInChI=1S/C20H19N3O3S/c1-14-7-9-15(10-8-14)23-12-11-21-19(20(23)25)27-13-18(24)22-16-5-3-4-6-17(16)26-2/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyIZJSKRVXVMNIPU-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.28
Rot. Bonds6

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

N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 16956698) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID16956698
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1nccn(-c2ccc(C)cc2)c1=O
InChIInChI=1S/C20H19N3O3S/c1-14-7-9-15(10-8-14)23-12-11-21-19(20(23)25)27-13-18(24)22-16-5-3-4-6-17(16)26-2/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyIZJSKRVXVMNIPU-UHFFFAOYSA-N
XLogP3.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 7386575
N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7246389
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
N-(2,4-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16832648
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824572
N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16956713
2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 18592137
2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3674449
2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 20941951
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824601
N-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7246354
2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 16824551

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 16956698) is N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is COc1ccccc1NC(=O)CSc1nccn(-c2ccc(C)cc2)c1=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is IZJSKRVXVMNIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14-7-9-15(10-8-14)23-12-11-21-19(20(23)25)27-13-18(24)22-16-5-3-4-6-17(16)26-2/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide has a molecular weight of 381.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 16956698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).