6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one

C14H15NO2S — CID 82518878

IUPAC6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one
SMILESCCOc1ccccc1-c1ccc(CS)c(=O)[nH]1
InChIInChI=1S/C14H15NO2S/c1-2-17-13-6-4-3-5-11(13)12-8-7-10(9-18)14(16)15-12/h3-8,18H,2,9H2,1H3,(H,15,16)
InChIKeyFKYCJYPFJDFOMY-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.87
Rot. Bonds4

About 6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one

6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one (PubChem CID 82518878) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one
PubChem CID82518878
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one
SMILESCCOc1ccccc1-c1ccc(CS)c(=O)[nH]1
InChIInChI=1S/C14H15NO2S/c1-2-17-13-6-4-3-5-11(13)12-8-7-10(9-18)14(16)15-12/h3-8,18H,2,9H2,1H3,(H,15,16)
InChIKeyFKYCJYPFJDFOMY-UHFFFAOYSA-N
XLogP2.87
TPSA42.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[(butan-2-ylamino)methyl]-6-(2-ethoxyphenyl)-1H-pyridin-2-one
CID 82518886
4-(2-ethoxyphenyl)-3H-1,3-thiazol-2-one
CID 43286764
1-cyclopropyl-6-(2-ethoxyphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82518801
4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656984
methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate
CID 23167499
ethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 92715293
4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 172570987
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826
2-(2-ethoxyphenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135670755
3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 82518417
[2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine
CID 62800398
2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4004569

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one (CID 82518878) is 6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one is CCOc1ccccc1-c1ccc(CS)c(=O)[nH]1.
What is the InChIKey of 6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one?
The InChIKey is FKYCJYPFJDFOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-2-17-13-6-4-3-5-11(13)12-8-7-10(9-18)14(16)15-12/h3-8,18H,2,9H2,1H3,(H,15,16).
What are the key properties of 6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one?
6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one has a molecular weight of 261.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 82518878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).