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

C22H23N3O3S — CID 7386605

IUPAC2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
SMILESCCOc1ccc(-n2ccnc(SCC(=O)Nc3ccc(CC)cc3)c2=O)cc1
InChIInChI=1S/C22H23N3O3S/c1-3-16-5-7-17(8-6-16)24-20(26)15-29-21-22(27)25(14-13-23-21)18-9-11-19(12-10-18)28-4-2/h5-14H,3-4,15H2,1-2H3,(H,24,26)
InChIKeyWHRUVBMCINFCPS-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.92
Rot. Bonds8

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

2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide (PubChem CID 7386605) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
PubChem CID7386605
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
SMILESCCOc1ccc(-n2ccnc(SCC(=O)Nc3ccc(CC)cc3)c2=O)cc1
InChIInChI=1S/C22H23N3O3S/c1-3-16-5-7-17(8-6-16)24-20(26)15-29-21-22(27)25(14-13-23-21)18-9-11-19(12-10-18)28-4-2/h5-14H,3-4,15H2,1-2H3,(H,24,26)
InChIKeyWHRUVBMCINFCPS-UHFFFAOYSA-N
XLogP3.92
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-anilino-2-oxoethyl)sulfanyl]-N-(4-methoxybenzyl)acetamide
CID 578565
2-(4-acetamidophenoxy)-N-(2-phenylethyl)acetamide
CID 2450951
2-(benzylsulfanyl)-N-(4-methoxyphenyl)propanamide
CID 2889957
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
4-{[(Benzylsulfanyl)acetyl]amino}phenyl propanoate
CID 891549
(2E,5Z)-5-[4-(dimethylamino)benzylidene]-2-[(4-ethoxyphenyl)imino]-3-ethyl-1,3-thiazolidin-4-one
CID 1809763
N-[4-(benzyloxy)phenyl]-4-(dimethylamino)butanamide
CID 24901610
N-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 725331
N-(4-methoxyphenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 875841
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1106303
2-{[2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}-N-(4-methoxyphenyl)acetamide
CID 2027766

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide (CID 7386605) is 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide is CCOc1ccc(-n2ccnc(SCC(=O)Nc3ccc(CC)cc3)c2=O)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide?
The InChIKey is WHRUVBMCINFCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-3-16-5-7-17(8-6-16)24-20(26)15-29-21-22(27)25(14-13-23-21)18-9-11-19(12-10-18)28-4-2/h5-14H,3-4,15H2,1-2H3,(H,24,26).
What are the key properties of 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide?
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide has a molecular weight of 409.51 g/mol, XLogP of 3.92, 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-ethylphenyl)acetamide is sourced from PubChem (CID 7386605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).