N-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

C22H23N3O2S — CID 7246354

IUPACN-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1cc(C)cc(-n2ccnc(SCC(=O)Nc3cc(C)ccc3C)c2=O)c1
InChIInChI=1S/C22H23N3O2S/c1-14-5-6-17(4)19(12-14)24-20(26)13-28-21-22(27)25(8-7-23-21)18-10-15(2)9-16(3)11-18/h5-12H,13H2,1-4H3,(H,24,26)
InChIKeyHQOTXPNMAZIEAM-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.20
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

N-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 7246354) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID7246354
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1cc(C)cc(-n2ccnc(SCC(=O)Nc3cc(C)ccc3C)c2=O)c1
InChIInChI=1S/C22H23N3O2S/c1-14-5-6-17(4)19(12-14)24-20(26)13-28-21-22(27)25(8-7-23-21)18-10-15(2)9-16(3)11-18/h5-12H,13H2,1-4H3,(H,24,26)
InChIKeyHQOTXPNMAZIEAM-UHFFFAOYSA-N
XLogP4.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 7386681
2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 20941951
2-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 18579429
N-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20942006
N-(3-chloro-4-fluorophenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18591385
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824601
N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16956698
N-(3-chlorophenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 8721442
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824572
N-(4-ethylphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941761
N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16956713
N-(3,4-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941833

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 7246354) is N-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is Cc1cc(C)cc(-n2ccnc(SCC(=O)Nc3cc(C)ccc3C)c2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is HQOTXPNMAZIEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-14-5-6-17(4)19(12-14)24-20(26)13-28-21-22(27)25(8-7-23-21)18-10-15(2)9-16(3)11-18/h5-12H,13H2,1-4H3,(H,24,26).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide has a molecular weight of 393.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 7246354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).