N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

C20H18FN3O2S — CID 16824601

IUPACN-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1cc(C)cc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C20H18FN3O2S/c1-13-9-14(2)11-16(10-13)23-18(25)12-27-19-20(26)24(8-7-22-19)17-5-3-15(21)4-6-17/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyPLIKPMOLJNKXRX-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.72
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 16824601) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID16824601
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC NameN-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1cc(C)cc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C20H18FN3O2S/c1-13-9-14(2)11-16(10-13)23-18(25)12-27-19-20(26)24(8-7-22-19)17-5-3-15(21)4-6-17/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyPLIKPMOLJNKXRX-UHFFFAOYSA-N
XLogP3.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941833
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824572
2-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 18579432
2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide
CID 20941845
2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 16824551
2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 20941951
N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16956713
N-(3-chloro-4-fluorophenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18591385
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7386620
N-(3,5-dimethoxyphenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18579515
2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 18579522
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 N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 16824601) is N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is Cc1cc(C)cc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is PLIKPMOLJNKXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-13-9-14(2)11-16(10-13)23-18(25)12-27-19-20(26)24(8-7-22-19)17-5-3-15(21)4-6-17/h3-11H,12H2,1-2H3,(H,23,25).
What are the key properties of N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide has a molecular weight of 383.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 16824601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).