2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine

C17H16N2O2S2 — CID 167542082

IUPAC2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine
SMILESCS(=O)(=O)c1ccc(-c2cncc(CCc3cccs3)n2)cc1
InChIInChI=1S/C17H16N2O2S2/c1-23(20,21)16-8-4-13(5-9-16)17-12-18-11-14(19-17)6-7-15-3-2-10-22-15/h2-5,8-12H,6-7H2,1H3
InChIKeyQBXUGOOMCBLHPS-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.39
Rot. Bonds5

About 2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine

2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine (PubChem CID 167542082) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine
PubChem CID167542082
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine
SMILESCS(=O)(=O)c1ccc(-c2cncc(CCc3cccs3)n2)cc1
InChIInChI=1S/C17H16N2O2S2/c1-23(20,21)16-8-4-13(5-9-16)17-12-18-11-14(19-17)6-7-15-3-2-10-22-15/h2-5,8-12H,6-7H2,1H3
InChIKeyQBXUGOOMCBLHPS-UHFFFAOYSA-N
XLogP3.39
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine
CID 167640304
2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine
CID 167576117
5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 167554192
3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-5-amine
CID 167635192
4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 167018958
2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole
CID 167559020
6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine
CID 167562711
6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid
CID 77089426
3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 167581803
methane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine
CID 167554189
2-methyl-1-[2-(4-methylsulfonylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111614585
(1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 93384250

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine?
The IUPAC name of 2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine (CID 167542082) is 2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine is CS(=O)(=O)c1ccc(-c2cncc(CCc3cccs3)n2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine?
The InChIKey is QBXUGOOMCBLHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-23(20,21)16-8-4-13(5-9-16)17-12-18-11-14(19-17)6-7-15-3-2-10-22-15/h2-5,8-12H,6-7H2,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine?
2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine has a molecular weight of 344.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine is sourced from PubChem (CID 167542082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).