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

C18H13ClFN3OS — CID 57328869

IUPAC2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccccc1F
InChIInChI=1S/C18H13ClFN3OS/c19-13-6-2-1-5-12(13)17-18(22-10-9-21-17)25-11-16(24)23-15-8-4-3-7-14(15)20/h1-10H,11H2,(H,23,24)
InChIKeyPVMPSWZICURELW-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.67
Rot. Bonds5

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

2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 57328869) has the molecular formula C18H13ClFN3OS and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID57328869
Molecular FormulaC18H13ClFN3OS
Molecular Weight373.84 g/mol
Exact Mass373.05
IUPAC Name2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccccc1F
InChIInChI=1S/C18H13ClFN3OS/c19-13-6-2-1-5-12(13)17-18(22-10-9-21-17)25-11-16(24)23-15-8-4-3-7-14(15)20/h1-10H,11H2,(H,23,24)
InChIKeyPVMPSWZICURELW-UHFFFAOYSA-N
XLogP4.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide
CID 70694584
N1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-(2-pyridylthio)acetamide
CID 2726087
2-[(4-chlorobenzyl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 801371
2-[(2-chloro-6-fluorobenzyl)thio]-N-3-pyridinylacetamide
CID 2230067
2-[(2-chloro-6-fluorobenzyl)thio]-N-(3-pyridinylmethyl)acetamide
CID 2712468
N-[(2-Chlorophenyl)methyl]-2-({3-[(4-methylphenyl)methyl]quinoxalin-2-YL}sulfanyl)acetamide
CID 16030435
2-[(3-Benzylquinoxalin-2-YL)sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 16030467
2-[(2-chloro-6-fluorobenzyl)thio]-N-(4-pyridinylmethyl)acetamide
CID 2229106
2-chloro-N-{2-[(4-methylphenyl)thio]pyridin-3-yl}benzamide
CID 2728417

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide (CID 57328869) is 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide is O=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccccc1F.
What is the InChIKey of 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is PVMPSWZICURELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3OS/c19-13-6-2-1-5-12(13)17-18(22-10-9-21-17)25-11-16(24)23-15-8-4-3-7-14(15)20/h1-10H,11H2,(H,23,24).
What are the key properties of 2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 373.84 g/mol, XLogP of 4.67, 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-fluorophenyl)acetamide is sourced from PubChem (CID 57328869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).