4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide

C18H22N2O2S — CID 122571299

IUPAC4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide
SMILESCCSCCNC(=O)c1ccc(-c2cc(C)c(C)[nH]c2=O)cc1
InChIInChI=1S/C18H22N2O2S/c1-4-23-10-9-19-17(21)15-7-5-14(6-8-15)16-11-12(2)13(3)20-18(16)22/h5-8,11H,4,9-10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyCQUALZAYQWGITO-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.14
Rot. Bonds6

About 4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide

4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide (PubChem CID 122571299) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide.

Molecular Properties

Compound Name4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide
PubChem CID122571299
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide
SMILESCCSCCNC(=O)c1ccc(-c2cc(C)c(C)[nH]c2=O)cc1
InChIInChI=1S/C18H22N2O2S/c1-4-23-10-9-19-17(21)15-7-5-14(6-8-15)16-11-12(2)13(3)20-18(16)22/h5-8,11H,4,9-10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyCQUALZAYQWGITO-UHFFFAOYSA-N
XLogP3.14
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide
CID 104668564
4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2R)-2-imidazol-1-ylpropyl]benzamide
CID 125436427
4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-2-imidazol-1-ylpropyl]benzamide
CID 125436426
2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide
CID 74247398
4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide
CID 119074661
3-hydroxy-4-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 113358445
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-phenylbenzamide
CID 126175616
3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide
CID 122558606
3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide
CID 148763117
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-methylbenzamide
CID 7582460
2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid
CID 155912996
4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid
CID 86221983

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide?
The IUPAC name of 4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide (CID 122571299) is 4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide.
What is the SMILES notation for 4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide?
The canonical SMILES for 4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide is CCSCCNC(=O)c1ccc(-c2cc(C)c(C)[nH]c2=O)cc1.
What is the InChIKey of 4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide?
The InChIKey is CQUALZAYQWGITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-4-23-10-9-19-17(21)15-7-5-14(6-8-15)16-11-12(2)13(3)20-18(16)22/h5-8,11H,4,9-10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide?
4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide has a molecular weight of 330.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide is sourced from PubChem (CID 122571299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).