2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide

C19H16BrN3O3S — CID 18579522

IUPAC2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nccn(-c3ccc(Br)cc3)c2=O)c1
InChIInChI=1S/C19H16BrN3O3S/c1-26-16-4-2-3-14(11-16)22-17(24)12-27-18-19(25)23(10-9-21-18)15-7-5-13(20)6-8-15/h2-11H,12H2,1H3,(H,22,24)
InChIKeyWOURPVFBRDHCLN-UHFFFAOYSA-N
MW446.33 g/mol
LogP3.73
Rot. Bonds6

About 2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide

2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide (PubChem CID 18579522) has the molecular formula C19H16BrN3O3S and a molecular weight of 446.33 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
PubChem CID18579522
Molecular FormulaC19H16BrN3O3S
Molecular Weight446.33 g/mol
Exact Mass445.01
IUPAC Name2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nccn(-c3ccc(Br)cc3)c2=O)c1
InChIInChI=1S/C19H16BrN3O3S/c1-26-16-4-2-3-14(11-16)22-17(24)12-27-18-19(25)23(10-9-21-18)15-7-5-13(20)6-8-15/h2-11H,12H2,1H3,(H,22,24)
InChIKeyWOURPVFBRDHCLN-UHFFFAOYSA-N
XLogP3.73
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 8721436
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824572
N-(3,4-dimethylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 50790472
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7386620
N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16956713
N-(3,5-dimethoxyphenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18579515
2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 16824551
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 4049491
2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide
CID 18579443
N-(3-chlorophenyl)-2-(3-oxo-4-phenylpyrazin-2-yl)sulfanylacetamide
CID 20941735
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824601
2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide
CID 20941845

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide (CID 18579522) is 2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSc2nccn(-c3ccc(Br)cc3)c2=O)c1.
What is the InChIKey of 2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The InChIKey is WOURPVFBRDHCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3S/c1-26-16-4-2-3-14(11-16)22-17(24)12-27-18-19(25)23(10-9-21-18)15-7-5-13(20)6-8-15/h2-11H,12H2,1H3,(H,22,24).
What are the key properties of 2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide has a molecular weight of 446.33 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 18579522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).