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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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).