2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide

C18H14FN3O2S — CID 20941845

IUPAC2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CSc1nccn(-c2ccc(F)cc2)c1=O)Nc1ccccc1
InChIInChI=1S/C18H14FN3O2S/c19-13-6-8-15(9-7-13)22-11-10-20-17(18(22)24)25-12-16(23)21-14-4-2-1-3-5-14/h1-11H,12H2,(H,21,23)
InChIKeyNPKBDNPGDSSKBH-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.10
Rot. Bonds5

About 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide

2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 20941845) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide
PubChem CID20941845
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC Name2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CSc1nccn(-c2ccc(F)cc2)c1=O)Nc1ccccc1
InChIInChI=1S/C18H14FN3O2S/c19-13-6-8-15(9-7-13)22-11-10-20-17(18(22)24)25-12-16(23)21-14-4-2-1-3-5-14/h1-11H,12H2,(H,21,23)
InChIKeyNPKBDNPGDSSKBH-UHFFFAOYSA-N
XLogP3.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824601
2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 16824551
N-(3,4-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941833
N-(3-chlorophenyl)-2-(3-oxo-4-phenylpyrazin-2-yl)sulfanylacetamide
CID 20941735
2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 18592137
N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16956713
2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 16824594
2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 18579522
2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 20941951
N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16956698
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7386620
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824572

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide (CID 20941845) is 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide is O=C(CSc1nccn(-c2ccc(F)cc2)c1=O)Nc1ccccc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is NPKBDNPGDSSKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c19-13-6-8-15(9-7-13)22-11-10-20-17(18(22)24)25-12-16(23)21-14-4-2-1-3-5-14/h1-11H,12H2,(H,21,23).
What are the key properties of 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide?
2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide has a molecular weight of 355.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 20941845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).