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

C20H19N3O3S — CID 8721436

IUPACN-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2nccn(-c3cccc(C)c3)c2=O)c1
InChIInChI=1S/C20H19N3O3S/c1-14-5-3-7-16(11-14)23-10-9-21-19(20(23)25)27-13-18(24)22-15-6-4-8-17(12-15)26-2/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyOJQFVRZUPIKIJO-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.28
Rot. Bonds6

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

N-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 8721436) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID8721436
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2nccn(-c3cccc(C)c3)c2=O)c1
InChIInChI=1S/C20H19N3O3S/c1-14-5-3-7-16(11-14)23-10-9-21-19(20(23)25)27-13-18(24)22-15-6-4-8-17(12-15)26-2/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyOJQFVRZUPIKIJO-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

N-(3,4-dimethylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 50790472
N-(3-chlorophenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 8721442
2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 18579522
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7386620
N-(4-ethylphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941761
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824572
N-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20942006
1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one
CID 20942000
N-benzyl-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941994
N-(3,4-dimethoxyphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18591777
2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide
CID 18579443
2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 20941951

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 8721436) is N-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is COc1cccc(NC(=O)CSc2nccn(-c3cccc(C)c3)c2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is OJQFVRZUPIKIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14-5-3-7-16(11-14)23-10-9-21-19(20(23)25)27-13-18(24)22-15-6-4-8-17(12-15)26-2/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of N-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-(3-methoxyphenyl)-2-[4-(3-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-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 8721436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).