2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide

C23H25N3O3S — CID 7386616

IUPAC2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCCOc1ccc(-n2ccnc(SCC(=O)Nc3ccc(C(C)C)cc3)c2=O)cc1
InChIInChI=1S/C23H25N3O3S/c1-4-29-20-11-9-19(10-12-20)26-14-13-24-22(23(26)28)30-15-21(27)25-18-7-5-17(6-8-18)16(2)3/h5-14,16H,4,15H2,1-3H3,(H,25,27)
InChIKeyNMTGKANLAPPNDE-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.49
Rot. Bonds8

About 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide

2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 7386616) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
PubChem CID7386616
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCCOc1ccc(-n2ccnc(SCC(=O)Nc3ccc(C(C)C)cc3)c2=O)cc1
InChIInChI=1S/C23H25N3O3S/c1-4-29-20-11-9-19(10-12-20)26-14-13-24-22(23(26)28)30-15-21(27)25-18-7-5-17(6-8-18)16(2)3/h5-14,16H,4,15H2,1-3H3,(H,25,27)
InChIKeyNMTGKANLAPPNDE-UHFFFAOYSA-N
XLogP4.49
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.49
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
3-Benzyl-5-(4-ethoxyanilino)-1,3-thiazolidine-2,4-dione
CID 3145414
N-(4-methoxyphenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 875841
N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetamide
CID 4882630
2-((4-(2-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)-N-phenethylacetamide
CID 7386571
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 7386604
2-((4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)-N-(p-tolyl)acetamide
CID 18579406
2-((4-(4-ethoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)-N-(3-methoxybenzyl)acetamide
CID 18579519
N-Cyclohexyl-2-{[4-(4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-YL]sulfanyl}acetamide
CID 20941973
N-(4-methoxyphenyl)-2-[methyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide
CID 24981166
2-[(2-benzhydrylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide
CID 25163128
2-((4-(3,4-difluorophenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)-N-(4-methoxybenzyl)acetamide
CID 18579565

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide (CID 7386616) is 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide is CCOc1ccc(-n2ccnc(SCC(=O)Nc3ccc(C(C)C)cc3)c2=O)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is NMTGKANLAPPNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-4-29-20-11-9-19(10-12-20)26-14-13-24-22(23(26)28)30-15-21(27)25-18-7-5-17(6-8-18)16(2)3/h5-14,16H,4,15H2,1-3H3,(H,25,27).
What are the key properties of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 423.54 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 7386616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).