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

C20H18FN3O2S — CID 16824595

IUPACN-(2,4-dimethylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nccn(-c3cccc(F)c3)c2=O)c(C)c1
InChIInChI=1S/C20H18FN3O2S/c1-13-6-7-17(14(2)10-13)23-18(25)12-27-19-20(26)24(9-8-22-19)16-5-3-4-15(21)11-16/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyIYDLAPCQHMNYDS-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.72
Rot. Bonds5

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

N-(2,4-dimethylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 16824595) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID16824595
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nccn(-c3cccc(F)c3)c2=O)c(C)c1
InChIInChI=1S/C20H18FN3O2S/c1-13-6-7-17(14(2)10-13)23-18(25)12-27-19-20(26)24(9-8-22-19)16-5-3-4-15(21)11-16/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyIYDLAPCQHMNYDS-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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 16824595) is N-(2,4-dimethylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is Cc1ccc(NC(=O)CSc2nccn(-c3cccc(F)c3)c2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is IYDLAPCQHMNYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-13-6-7-17(14(2)10-13)23-18(25)12-27-19-20(26)24(9-8-22-19)16-5-3-4-15(21)11-16/h3-11H,12H2,1-2H3,(H,23,25).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-(2,4-dimethylphenyl)-2-[4-(3-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-(2,4-dimethylphenyl)-2-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 16824595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).