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

C21H21N3O4S — CID 7386604

IUPAC2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCCOc1ccc(-n2ccnc(SCC(=O)Nc3cccc(OC)c3)c2=O)cc1
InChIInChI=1S/C21H21N3O4S/c1-3-28-17-9-7-16(8-10-17)24-12-11-22-20(21(24)26)29-14-19(25)23-15-5-4-6-18(13-15)27-2/h4-13H,3,14H2,1-2H3,(H,23,25)
InChIKeyYQBDWHWUYDRARS-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.37
Rot. Bonds8

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

2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide (PubChem CID 7386604) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
PubChem CID7386604
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCCOc1ccc(-n2ccnc(SCC(=O)Nc3cccc(OC)c3)c2=O)cc1
InChIInChI=1S/C21H21N3O4S/c1-3-28-17-9-7-16(8-10-17)24-12-11-22-20(21(24)26)29-14-19(25)23-15-5-4-6-18(13-15)27-2/h4-13H,3,14H2,1-2H3,(H,23,25)
InChIKeyYQBDWHWUYDRARS-UHFFFAOYSA-N
XLogP3.37
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide (CID 7386604) is 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide is CCOc1ccc(-n2ccnc(SCC(=O)Nc3cccc(OC)c3)c2=O)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The InChIKey is YQBDWHWUYDRARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-3-28-17-9-7-16(8-10-17)24-12-11-22-20(21(24)26)29-14-19(25)23-15-5-4-6-18(13-15)27-2/h4-13H,3,14H2,1-2H3,(H,23,25).
What are the key properties of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide has a molecular weight of 411.48 g/mol, XLogP of 3.37, 8 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)acetamide is sourced from PubChem (CID 7386604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).