2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide

C22H23N3O4S — CID 18579519

IUPAC2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(-n2ccnc(SCC(=O)NCc3cccc(OC)c3)c2=O)cc1
InChIInChI=1S/C22H23N3O4S/c1-3-29-18-9-7-17(8-10-18)25-12-11-23-21(22(25)27)30-15-20(26)24-14-16-5-4-6-19(13-16)28-2/h4-13H,3,14-15H2,1-2H3,(H,24,26)
InChIKeyCRICBXWFPIBNSN-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.05
Rot. Bonds9

About 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide

2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 18579519) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID18579519
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(-n2ccnc(SCC(=O)NCc3cccc(OC)c3)c2=O)cc1
InChIInChI=1S/C22H23N3O4S/c1-3-29-18-9-7-17(8-10-18)25-12-11-23-21(22(25)27)30-15-20(26)24-14-16-5-4-6-19(13-16)28-2/h4-13H,3,14-15H2,1-2H3,(H,24,26)
InChIKeyCRICBXWFPIBNSN-UHFFFAOYSA-N
XLogP3.05
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941994
N-(3,5-dimethoxyphenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18579515
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7386620
2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 18579522
3-[(3-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one
CID 42553786
N-[(3-methoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27443662
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824572
N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7246389
N-cyclopentyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941979
N-(3,4-dimethylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 50790472
N-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 8721436
2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 18579453

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide (CID 18579519) is 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide is CCOc1ccc(-n2ccnc(SCC(=O)NCc3cccc(OC)c3)c2=O)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is CRICBXWFPIBNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-3-29-18-9-7-17(8-10-18)25-12-11-23-21(22(25)27)30-15-20(26)24-14-16-5-4-6-19(13-16)28-2/h4-13H,3,14-15H2,1-2H3,(H,24,26).
What are the key properties of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 425.51 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 18579519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).