2-[2-(2-methoxyphenoxy)ethylsulfonylmethyl]-3,5-dimethylpyrazine

C16H20N2O4S — CID 167786535

IUPAC2-[2-(2-methoxyphenoxy)ethylsulfonylmethyl]-3,5-dimethylpyrazine
SMILESCOc1ccccc1OCCS(=O)(=O)Cc1ncc(C)nc1C
InChIInChI=1S/C16H20N2O4S/c1-12-10-17-14(13(2)18-12)11-23(19,20)9-8-22-16-7-5-4-6-15(16)21-3/h4-7,10H,8-9,11H2,1-3H3
InChIKeyHHGJNJQFKPRFOQ-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.10
Rot. Bonds7

About 2-[2-(2-methoxyphenoxy)ethylsulfonylmethyl]-3,5-dimethylpyrazine

2-[2-(2-methoxyphenoxy)ethylsulfonylmethyl]-3,5-dimethylpyrazine (PubChem CID 167786535) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenoxy)ethylsulfonylmethyl]-3,5-dimethylpyrazine.

Molecular Properties

Compound Name2-[2-(2-methoxyphenoxy)ethylsulfonylmethyl]-3,5-dimethylpyrazine
PubChem CID167786535
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-[2-(2-methoxyphenoxy)ethylsulfonylmethyl]-3,5-dimethylpyrazine
SMILESCOc1ccccc1OCCS(=O)(=O)Cc1ncc(C)nc1C
InChIInChI=1S/C16H20N2O4S/c1-12-10-17-14(13(2)18-12)11-23(19,20)9-8-22-16-7-5-4-6-15(16)21-3/h4-7,10H,8-9,11H2,1-3H3
InChIKeyHHGJNJQFKPRFOQ-UHFFFAOYSA-N
XLogP2.10
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene
CID 167930009
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CID 81197862
3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride
CID 165453369
[3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol
CID 79158678
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
5-ethyl-N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrimidin-4-amine
CID 134706347
2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 55024329
1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 63172671
2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine
CID 79169208
3-(2-ethylsulfonylethoxy)-4-methoxyaniline
CID 43807344
1-(chloromethoxy)-2-methoxybenzene
CID 12696124

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenoxy)ethylsulfonylmethyl]-3,5-dimethylpyrazine?
The IUPAC name of 2-[2-(2-methoxyphenoxy)ethylsulfonylmethyl]-3,5-dimethylpyrazine (CID 167786535) is 2-[2-(2-methoxyphenoxy)ethylsulfonylmethyl]-3,5-dimethylpyrazine.
What is the SMILES notation for 2-[2-(2-methoxyphenoxy)ethylsulfonylmethyl]-3,5-dimethylpyrazine?
The canonical SMILES for 2-[2-(2-methoxyphenoxy)ethylsulfonylmethyl]-3,5-dimethylpyrazine is COc1ccccc1OCCS(=O)(=O)Cc1ncc(C)nc1C.
What is the InChIKey of 2-[2-(2-methoxyphenoxy)ethylsulfonylmethyl]-3,5-dimethylpyrazine?
The InChIKey is HHGJNJQFKPRFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12-10-17-14(13(2)18-12)11-23(19,20)9-8-22-16-7-5-4-6-15(16)21-3/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of 2-[2-(2-methoxyphenoxy)ethylsulfonylmethyl]-3,5-dimethylpyrazine?
2-[2-(2-methoxyphenoxy)ethylsulfonylmethyl]-3,5-dimethylpyrazine has a molecular weight of 336.41 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenoxy)ethylsulfonylmethyl]-3,5-dimethylpyrazine is sourced from PubChem (CID 167786535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).