N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

C21H20N2O2S — CID 55756725

IUPACN-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCc1ccc(SCCNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C21H20N2O2S/c1-15-7-9-17(10-8-15)26-14-13-22-20(24)18-11-12-19(23-21(18)25)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyGZHXZEJYEOTWMM-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.87
Rot. Bonds6

About N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 55756725) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID55756725
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCc1ccc(SCCNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C21H20N2O2S/c1-15-7-9-17(10-8-15)26-14-13-22-20(24)18-11-12-19(23-21(18)25)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyGZHXZEJYEOTWMM-UHFFFAOYSA-N
XLogP3.87
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.87
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-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55757741
6-(4-methylphenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 66497542
N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 129350671
N-(2,5-dimethylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497845
N-(cyclopropylmethyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497565
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497528
2-bromo-5-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 80965861
N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111484299
N-[2-(furan-2-yl)ethyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66497553
N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111483420
N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide
CID 24629694

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 55756725) is N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is Cc1ccc(SCCNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is GZHXZEJYEOTWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-15-7-9-17(10-8-15)26-14-13-22-20(24)18-11-12-19(23-21(18)25)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 55756725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).