2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide

C15H16N2O2S — CID 126683060

IUPAC2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide
SMILESCCSc1ccccc1C(=O)Nc1cc(C)ncc1O
InChIInChI=1S/C15H16N2O2S/c1-3-20-14-7-5-4-6-11(14)15(19)17-12-8-10(2)16-9-13(12)18/h4-9,18H,3H2,1-2H3,(H,16,17,19)
InChIKeyASFHMCODMYTGJZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.46
Rot. Bonds4

About 2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide

2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide (PubChem CID 126683060) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide
PubChem CID126683060
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide
SMILESCCSc1ccccc1C(=O)Nc1cc(C)ncc1O
InChIInChI=1S/C15H16N2O2S/c1-3-20-14-7-5-4-6-11(14)15(19)17-12-8-10(2)16-9-13(12)18/h4-9,18H,3H2,1-2H3,(H,16,17,19)
InChIKeyASFHMCODMYTGJZ-UHFFFAOYSA-N
XLogP3.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
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2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 162564794
2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide
CID 158896086
N-(2-ethylsulfanylphenyl)-2-iodobenzamide
CID 47310864
N-(3-chlorophenyl)-2-ethylsulfanylbenzamide
CID 4631179
N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide
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2-(ethylamino)-N-(2-ethylsulfanylphenyl)benzamide
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2-ethylsulfanyl-N-quinolin-6-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide (CID 126683060) is 2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide is CCSc1ccccc1C(=O)Nc1cc(C)ncc1O.
What is the InChIKey of 2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide?
The InChIKey is ASFHMCODMYTGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-3-20-14-7-5-4-6-11(14)15(19)17-12-8-10(2)16-9-13(12)18/h4-9,18H,3H2,1-2H3,(H,16,17,19).
What are the key properties of 2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide?
2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide has a molecular weight of 288.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 126683060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).