N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

C19H16BrN3O2S — CID 16956713

IUPACN-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc(SCC(=O)Nc3ccc(Br)cc3)c2=O)cc1
InChIInChI=1S/C19H16BrN3O2S/c1-13-2-8-16(9-3-13)23-11-10-21-18(19(23)25)26-12-17(24)22-15-6-4-14(20)5-7-15/h2-11H,12H2,1H3,(H,22,24)
InChIKeyVXXRPJPZJYUQIX-UHFFFAOYSA-N
MW430.33 g/mol
LogP4.03
Rot. Bonds5

About N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 16956713) has the molecular formula C19H16BrN3O2S and a molecular weight of 430.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID16956713
Molecular FormulaC19H16BrN3O2S
Molecular Weight430.33 g/mol
Exact Mass429.01
IUPAC NameN-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc(SCC(=O)Nc3ccc(Br)cc3)c2=O)cc1
InChIInChI=1S/C19H16BrN3O2S/c1-13-2-8-16(9-3-13)23-11-10-21-18(19(23)25)26-12-17(24)22-15-6-4-14(20)5-7-15/h2-11H,12H2,1H3,(H,22,24)
InChIKeyVXXRPJPZJYUQIX-UHFFFAOYSA-N
XLogP4.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 20941951
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824601
2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 18579522
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824572
N-(3,4-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941833
2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 16824551
2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide
CID 20941845
2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941785
N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16956698
2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 7386575
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7386620
N-(4-ethylphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941761

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 16956713) is N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is Cc1ccc(-n2ccnc(SCC(=O)Nc3ccc(Br)cc3)c2=O)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is VXXRPJPZJYUQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2S/c1-13-2-8-16(9-3-13)23-11-10-21-18(19(23)25)26-12-17(24)22-15-6-4-14(20)5-7-15/h2-11H,12H2,1H3,(H,22,24).
What are the key properties of N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide has a molecular weight of 430.33 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 16956713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).