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

C20H17ClFN3O3S — CID 18579513

IUPACN-(4-chloro-2-fluorophenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCCOc1ccc(-n2ccnc(SCC(=O)Nc3ccc(Cl)cc3F)c2=O)cc1
InChIInChI=1S/C20H17ClFN3O3S/c1-2-28-15-6-4-14(5-7-15)25-10-9-23-19(20(25)27)29-12-18(26)24-17-8-3-13(21)11-16(17)22/h3-11H,2,12H2,1H3,(H,24,26)
InChIKeyGUUSEMHJXCLOSZ-UHFFFAOYSA-N
MW433.89 g/mol
LogP4.15
Rot. Bonds7

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

N-(4-chloro-2-fluorophenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 18579513) has the molecular formula C20H17ClFN3O3S and a molecular weight of 433.89 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID18579513
Molecular FormulaC20H17ClFN3O3S
Molecular Weight433.89 g/mol
Exact Mass433.07
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCCOc1ccc(-n2ccnc(SCC(=O)Nc3ccc(Cl)cc3F)c2=O)cc1
InChIInChI=1S/C20H17ClFN3O3S/c1-2-28-15-6-4-14(5-7-15)25-10-9-23-19(20(25)27)29-12-18(26)24-17-8-3-13(21)11-16(17)22/h3-11H,2,12H2,1H3,(H,24,26)
InChIKeyGUUSEMHJXCLOSZ-UHFFFAOYSA-N
XLogP4.15
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7386612
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2118538
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 7386604
2-((4-(3-chloro-4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)-N-(4-methylbenzyl)acetamide
CID 16813643
N-Cyclohexyl-2-{[4-(4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-YL]sulfanyl}acetamide
CID 20941973
2-[2-(5-chloro-2-pyrrolidin-1-ylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 24818326
2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 24978900
2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 24982075
N-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7246384
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
CID 7386605
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 5061501
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2449020

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 18579513) is N-(4-chloro-2-fluorophenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is CCOc1ccc(-n2ccnc(SCC(=O)Nc3ccc(Cl)cc3F)c2=O)cc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is GUUSEMHJXCLOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3S/c1-2-28-15-6-4-14(5-7-15)25-10-9-23-19(20(25)27)29-12-18(26)24-17-8-3-13(21)11-16(17)22/h3-11H,2,12H2,1H3,(H,24,26).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-(4-chloro-2-fluorophenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide has a molecular weight of 433.89 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 18579513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).