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

C22H23N3O3S — CID 7386602

IUPAC2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESCCOc1ccc(-n2ccnc(SCC(=O)NCCc3ccccc3)c2=O)cc1
InChIInChI=1S/C22H23N3O3S/c1-2-28-19-10-8-18(9-11-19)25-15-14-24-21(22(25)27)29-16-20(26)23-13-12-17-6-4-3-5-7-17/h3-11,14-15H,2,12-13,16H2,1H3,(H,23,26)
InChIKeyFZWFIGFZUQLKTM-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.08
Rot. Bonds9

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

2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 7386602) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID7386602
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESCCOc1ccc(-n2ccnc(SCC(=O)NCCc3ccccc3)c2=O)cc1
InChIInChI=1S/C22H23N3O3S/c1-2-28-19-10-8-18(9-11-19)25-15-14-24-21(22(25)27)29-16-20(26)23-13-12-17-6-4-3-5-7-17/h3-11,14-15H,2,12-13,16H2,1H3,(H,23,26)
InChIKeyFZWFIGFZUQLKTM-UHFFFAOYSA-N
XLogP3.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide (CID 7386602) is 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide is CCOc1ccc(-n2ccnc(SCC(=O)NCCc3ccccc3)c2=O)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is FZWFIGFZUQLKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-2-28-19-10-8-18(9-11-19)25-15-14-24-21(22(25)27)29-16-20(26)23-13-12-17-6-4-3-5-7-17/h3-11,14-15H,2,12-13,16H2,1H3,(H,23,26).
What are the key properties of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide?
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 409.51 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7386602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).