2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine

C16H14N2O4S — CID 167564562

IUPAC2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine
SMILESCS(=O)(=O)c1ccc(-c2cncc(OCc3ccoc3)n2)cc1
InChIInChI=1S/C16H14N2O4S/c1-23(19,20)14-4-2-13(3-5-14)15-8-17-9-16(18-15)22-11-12-6-7-21-10-12/h2-10H,11H2,1H3
InChIKeyKMZFWJXCNHLGGC-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.72
Rot. Bonds5

About 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine

2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine (PubChem CID 167564562) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine.

Molecular Properties

Compound Name2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine
PubChem CID167564562
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine
SMILESCS(=O)(=O)c1ccc(-c2cncc(OCc3ccoc3)n2)cc1
InChIInChI=1S/C16H14N2O4S/c1-23(19,20)14-4-2-13(3-5-14)15-8-17-9-16(18-15)22-11-12-6-7-21-10-12/h2-10H,11H2,1H3
InChIKeyKMZFWJXCNHLGGC-UHFFFAOYSA-N
XLogP2.72
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine
CID 167617030
2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole
CID 167559020
2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine
CID 163629142
N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine
CID 167642388
N-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine
CID 167628850
2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine
CID 167576117
6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid
CID 77089426
2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine
CID 167640304
2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine
CID 167542082
6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine
CID 167562711
1-[4-(6-ethoxypyrazin-2-yl)phenyl]-3-[2-(ethylsulfonylmethyl)pyrimidin-4-yl]-3-methylbutan-2-one
CID 162177016
5-(chloromethyl)-2-(4-methylsulfonylphenyl)pyridine
CID 146419326

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine?
The IUPAC name of 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine (CID 167564562) is 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine.
What is the SMILES notation for 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine?
The canonical SMILES for 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine is CS(=O)(=O)c1ccc(-c2cncc(OCc3ccoc3)n2)cc1.
What is the InChIKey of 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine?
The InChIKey is KMZFWJXCNHLGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-23(19,20)14-4-2-13(3-5-14)15-8-17-9-16(18-15)22-11-12-6-7-21-10-12/h2-10H,11H2,1H3.
What are the key properties of 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine?
2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine has a molecular weight of 330.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine is sourced from PubChem (CID 167564562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).