2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-phenylacetamide

C18H14ClN3OS — CID 57328870

IUPAC2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C18H14ClN3OS/c19-15-9-5-4-8-14(15)17-18(21-11-10-20-17)24-12-16(23)22-13-6-2-1-3-7-13/h1-11H,12H2,(H,22,23)
InChIKeyOYTBVEUSRCRGJP-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.53
Rot. Bonds5

About 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-phenylacetamide

2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 57328870) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-phenylacetamide
PubChem CID57328870
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC Name2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C18H14ClN3OS/c19-15-9-5-4-8-14(15)17-18(21-11-10-20-17)24-12-16(23)22-13-6-2-1-3-7-13/h1-11H,12H2,(H,22,23)
InChIKeyOYTBVEUSRCRGJP-UHFFFAOYSA-N
XLogP4.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.53
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-phenylacetamide?
The IUPAC name of 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-phenylacetamide (CID 57328870) is 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-phenylacetamide is O=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccccc1.
What is the InChIKey of 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is OYTBVEUSRCRGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c19-15-9-5-4-8-14(15)17-18(21-11-10-20-17)24-12-16(23)22-13-6-2-1-3-7-13/h1-11H,12H2,(H,22,23).
What are the key properties of 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-phenylacetamide?
2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-phenylacetamide has a molecular weight of 355.85 g/mol, XLogP of 4.53, 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-phenylacetamide is sourced from PubChem (CID 57328870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).