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

C20H18FN3O2S — CID 16824562

IUPACN-(4-ethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C20H18FN3O2S/c1-2-14-3-7-16(8-4-14)23-18(25)13-27-19-20(26)24(12-11-22-19)17-9-5-15(21)6-10-17/h3-12H,2,13H2,1H3,(H,23,25)
InChIKeyFXYSJCQVSZASDP-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.66
Rot. Bonds6

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

N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 16824562) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID16824562
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC NameN-(4-ethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C20H18FN3O2S/c1-2-14-3-7-16(8-4-14)23-18(25)13-27-19-20(26)24(12-11-22-19)17-9-5-15(21)6-10-17/h3-12H,2,13H2,1H3,(H,23,25)
InChIKeyFXYSJCQVSZASDP-UHFFFAOYSA-N
XLogP3.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 16824562) is N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is CCc1ccc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is FXYSJCQVSZASDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-2-14-3-7-16(8-4-14)23-18(25)13-27-19-20(26)24(12-11-22-19)17-9-5-15(21)6-10-17/h3-12H,2,13H2,1H3,(H,23,25).
What are the key properties of N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide has a molecular weight of 383.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 16824562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).