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

C18H13ClFN3O2S — CID 18592137

IUPAC2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1nccn(-c2ccc(Cl)cc2)c1=O)Nc1ccccc1F
InChIInChI=1S/C18H13ClFN3O2S/c19-12-5-7-13(8-6-12)23-10-9-21-17(18(23)25)26-11-16(24)22-15-4-2-1-3-14(15)20/h1-10H,11H2,(H,22,24)
InChIKeyVLUPXHZDWTYFKX-UHFFFAOYSA-N
MW389.84 g/mol
LogP3.76
Rot. Bonds5

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

2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 18592137) has the molecular formula C18H13ClFN3O2S and a molecular weight of 389.84 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID18592137
Molecular FormulaC18H13ClFN3O2S
Molecular Weight389.84 g/mol
Exact Mass389.04
IUPAC Name2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1nccn(-c2ccc(Cl)cc2)c1=O)Nc1ccccc1F
InChIInChI=1S/C18H13ClFN3O2S/c19-12-5-7-13(8-6-12)23-10-9-21-17(18(23)25)26-11-16(24)22-15-4-2-1-3-14(15)20/h1-10H,11H2,(H,22,24)
InChIKeyVLUPXHZDWTYFKX-UHFFFAOYSA-N
XLogP3.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide
CID 20941845
N-(3-chlorophenyl)-2-(3-oxo-4-phenylpyrazin-2-yl)sulfanylacetamide
CID 20941735
2-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 18579429
N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16956698
2-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 18579432
N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7246389
2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 7386681
2-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 18579425
N-(3-chloro-4-fluorophenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18591385
N-(3-chloro-4-fluorophenyl)-2-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941933
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824601
2-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 18579464

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide (CID 18592137) is 2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide is O=C(CSc1nccn(-c2ccc(Cl)cc2)c1=O)Nc1ccccc1F.
What is the InChIKey of 2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is VLUPXHZDWTYFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2S/c19-12-5-7-13(8-6-12)23-10-9-21-17(18(23)25)26-11-16(24)22-15-4-2-1-3-14(15)20/h1-10H,11H2,(H,22,24).
What are the key properties of 2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 389.84 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 18592137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).