1-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone

C14H13NO2S — CID 670843

IUPAC1-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone
SMILESCOc1ccc(C(=O)CSc2ccccn2)cc1
InChIInChI=1S/C14H13NO2S/c1-17-12-7-5-11(6-8-12)13(16)10-18-14-4-2-3-9-15-14/h2-9H,10H2,1H3
InChIKeyDSOVEFGEVNNEBW-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.07
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone

1-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone (PubChem CID 670843) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone
PubChem CID670843
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name1-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone
SMILESCOc1ccc(C(=O)CSc2ccccn2)cc1
InChIInChI=1S/C14H13NO2S/c1-17-12-7-5-11(6-8-12)13(16)10-18-14-4-2-3-9-15-14/h2-9H,10H2,1H3
InChIKeyDSOVEFGEVNNEBW-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-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone (CID 670843) is 1-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone is COc1ccc(C(=O)CSc2ccccn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone?
The InChIKey is DSOVEFGEVNNEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-17-12-7-5-11(6-8-12)13(16)10-18-14-4-2-3-9-15-14/h2-9H,10H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone?
1-(4-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-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 670843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).