1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone

C14H13NO2S — CID 2426475

IUPAC1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone
SMILESCOc1ccccc1C(=O)CSc1ccccn1
InChIInChI=1S/C14H13NO2S/c1-17-13-7-3-2-6-11(13)12(16)10-18-14-8-4-5-9-15-14/h2-9H,10H2,1H3
InChIKeyLRGNYRGMNJSODH-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.07
Rot. Bonds5

About 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone

1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone (PubChem CID 2426475) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone
PubChem CID2426475
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone
SMILESCOc1ccccc1C(=O)CSc1ccccn1
InChIInChI=1S/C14H13NO2S/c1-17-13-7-3-2-6-11(13)12(16)10-18-14-8-4-5-9-15-14/h2-9H,10H2,1H3
InChIKeyLRGNYRGMNJSODH-UHFFFAOYSA-N
XLogP3.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone (CID 2426475) is 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone is COc1ccccc1C(=O)CSc1ccccn1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone?
The InChIKey is LRGNYRGMNJSODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-17-13-7-3-2-6-11(13)12(16)10-18-14-8-4-5-9-15-14/h2-9H,10H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone?
1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone has a molecular weight of 259.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 2426475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).