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

C21H21N3O3S — CID 7386571

IUPAC2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESCOc1ccccc1-n1ccnc(SCC(=O)NCCc2ccccc2)c1=O
InChIInChI=1S/C21H21N3O3S/c1-27-18-10-6-5-9-17(18)24-14-13-23-20(21(24)26)28-15-19(25)22-12-11-16-7-3-2-4-8-16/h2-10,13-14H,11-12,15H2,1H3,(H,22,25)
InChIKeyOGAKSTZTHCSTEE-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.69
Rot. Bonds8

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

2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 7386571) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID7386571
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESCOc1ccccc1-n1ccnc(SCC(=O)NCCc2ccccc2)c1=O
InChIInChI=1S/C21H21N3O3S/c1-27-18-10-6-5-9-17(18)24-14-13-23-20(21(24)26)28-15-19(25)22-12-11-16-7-3-2-4-8-16/h2-10,13-14H,11-12,15H2,1H3,(H,22,25)
InChIKeyOGAKSTZTHCSTEE-UHFFFAOYSA-N
XLogP2.69
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide (CID 7386571) is 2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide is COc1ccccc1-n1ccnc(SCC(=O)NCCc2ccccc2)c1=O.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is OGAKSTZTHCSTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-27-18-10-6-5-9-17(18)24-14-13-23-20(21(24)26)28-15-19(25)22-12-11-16-7-3-2-4-8-16/h2-10,13-14H,11-12,15H2,1H3,(H,22,25).
What are the key properties of 2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide?
2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 395.48 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7386571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).