2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide

C18H12Cl3N3OS — CID 57328939

IUPAC2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide
SMILESO=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H12Cl3N3OS/c19-11-5-6-15(14(21)9-11)24-16(25)10-26-18-17(22-7-8-23-18)12-3-1-2-4-13(12)20/h1-9H,10H2,(H,24,25)
InChIKeyBKOGREJOQUTBBS-UHFFFAOYSA-N
MW424.74 g/mol
LogP5.83
Rot. Bonds5

About 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide

2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide (PubChem CID 57328939) has the molecular formula C18H12Cl3N3OS and a molecular weight of 424.74 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide
PubChem CID57328939
Molecular FormulaC18H12Cl3N3OS
Molecular Weight424.74 g/mol
Exact Mass422.98
IUPAC Name2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide
SMILESO=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H12Cl3N3OS/c19-11-5-6-15(14(21)9-11)24-16(25)10-26-18-17(22-7-8-23-18)12-3-1-2-4-13(12)20/h1-9H,10H2,(H,24,25)
InChIKeyBKOGREJOQUTBBS-UHFFFAOYSA-N
XLogP5.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.74
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide (CID 57328939) is 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide is O=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is BKOGREJOQUTBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3N3OS/c19-11-5-6-15(14(21)9-11)24-16(25)10-26-18-17(22-7-8-23-18)12-3-1-2-4-13(12)20/h1-9H,10H2,(H,24,25).
What are the key properties of 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide?
2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 424.74 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 57328939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).