2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide

C17H12Cl2N4OS — CID 57328938

IUPAC2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(CSc1nccnc1-c1ccccc1Cl)Nc1cccnc1Cl
InChIInChI=1S/C17H12Cl2N4OS/c18-12-5-2-1-4-11(12)15-17(22-9-8-20-15)25-10-14(24)23-13-6-3-7-21-16(13)19/h1-9H,10H2,(H,23,24)
InChIKeyPBBJJZDGRLLXIH-UHFFFAOYSA-N
MW391.28 g/mol
LogP4.58
Rot. Bonds5

About 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide

2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 57328938) has the molecular formula C17H12Cl2N4OS and a molecular weight of 391.28 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID57328938
Molecular FormulaC17H12Cl2N4OS
Molecular Weight391.28 g/mol
Exact Mass390.01
IUPAC Name2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(CSc1nccnc1-c1ccccc1Cl)Nc1cccnc1Cl
InChIInChI=1S/C17H12Cl2N4OS/c18-12-5-2-1-4-11(12)15-17(22-9-8-20-15)25-10-14(24)23-13-6-3-7-21-16(13)19/h1-9H,10H2,(H,23,24)
InChIKeyPBBJJZDGRLLXIH-UHFFFAOYSA-N
XLogP4.58
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2,6-dichlorobenzyl)sulfanyl]-N-(pyridin-3-yl)acetamide
CID 951606
N-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2098997
2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)pyridin-3-yl]-1,3-thiazole-4-carboxamide
CID 10048421
2-[[5-(2-chlorophenyl)-1,2,4-triazin-6-yl]sulfanyl]-N-(2-chloro-3-pyridyl)acetamide
CID 57329094
2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloropyridin-3-yl)acetamide
CID 2120748
2-[(2-chloro-6-fluorobenzyl)thio]-N-3-pyridinylacetamide
CID 2230067
N-(3-chloro-2-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7207497
N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207502
N-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222518
2-[(3-Benzylquinoxalin-2-YL)sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 16030467
2-(2,6-Dichloro-benzylsulfanyl)-6-{[(E)-2-methyl-pyridin-3-ylimino]-methyl}-nicotinonitrile
CID 44371200
2-[(2-chlorobenzyl)thio]-N-[2-(pyridin-2-ylthio)ethyl]acetamide
CID 4453669

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide (CID 57328938) is 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide is O=C(CSc1nccnc1-c1ccccc1Cl)Nc1cccnc1Cl.
What is the InChIKey of 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is PBBJJZDGRLLXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4OS/c18-12-5-2-1-4-11(12)15-17(22-9-8-20-15)25-10-14(24)23-13-6-3-7-21-16(13)19/h1-9H,10H2,(H,23,24).
What are the key properties of 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide?
2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 391.28 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 57328938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).