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

C19H23N3O3S — CID 7386612

IUPACN-cyclopentyl-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCCOc1ccc(-n2ccnc(SCC(=O)NC3CCCC3)c2=O)cc1
InChIInChI=1S/C19H23N3O3S/c1-2-25-16-9-7-15(8-10-16)22-12-11-20-18(19(22)24)26-13-17(23)21-14-5-3-4-6-14/h7-12,14H,2-6,13H2,1H3,(H,21,23)
InChIKeyKCZDDSOYYPUQOZ-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.78
Rot. Bonds7

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

N-cyclopentyl-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 7386612) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID7386612
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-cyclopentyl-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCCOc1ccc(-n2ccnc(SCC(=O)NC3CCCC3)c2=O)cc1
InChIInChI=1S/C19H23N3O3S/c1-2-25-16-9-7-15(8-10-16)22-12-11-20-18(19(22)24)26-13-17(23)21-14-5-3-4-6-14/h7-12,14H,2-6,13H2,1H3,(H,21,23)
InChIKeyKCZDDSOYYPUQOZ-UHFFFAOYSA-N
XLogP2.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-2-((5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)acetamide
CID 135511550
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide hydrochloride
CID 16194805
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 4620189
N-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 4983381
N-(1-acetylpiperidin-4-yl)-N-cyclopentyl-N'-(4-ethoxyphenyl)urea
CID 5001476
1-(4-ethoxyphenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide
CID 6494496
Ethyl 2-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylacetate
CID 650071
CID 2872840
CID 2872840
2-((3-(4-Ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 2155337
4-oxo-N-(4-propoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide
CID 2958466
1-[4-(hexyloxy)phenyl]-2,5-dioxo-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 3593971
1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl N,N'-diethylcarbamimidothioate
CID 4021801

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 7386612) is N-cyclopentyl-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is CCOc1ccc(-n2ccnc(SCC(=O)NC3CCCC3)c2=O)cc1.
What is the InChIKey of N-cyclopentyl-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is KCZDDSOYYPUQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-2-25-16-9-7-15(8-10-16)22-12-11-20-18(19(22)24)26-13-17(23)21-14-5-3-4-6-14/h7-12,14H,2-6,13H2,1H3,(H,21,23).
What are the key properties of N-cyclopentyl-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-cyclopentyl-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide has a molecular weight of 373.48 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 7386612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).