N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide

C22H22N2O3S — CID 55662586

IUPACN-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESCOCCOc1ccc(CNC(=O)c2cccnc2Sc2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-26-14-15-27-18-11-9-17(10-12-18)16-24-21(25)20-8-5-13-23-22(20)28-19-6-3-2-4-7-19/h2-13H,14-16H2,1H3,(H,24,25)
InChIKeyOANHFCKAXCGPFK-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.19
Rot. Bonds9

About N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide

N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 55662586) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID55662586
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESCOCCOc1ccc(CNC(=O)c2cccnc2Sc2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-26-14-15-27-18-11-9-17(10-12-18)16-24-21(25)20-8-5-13-23-22(20)28-19-6-3-2-4-7-19/h2-13H,14-16H2,1H3,(H,24,25)
InChIKeyOANHFCKAXCGPFK-UHFFFAOYSA-N
XLogP4.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 18153619
2-phenylsulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 30377466
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 110793787
N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 46399858
2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 18153772
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 2531702
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743673
N-hexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 32647200
N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111428918
2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 46400204
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 43019372
N-(4-hydroxy-2-methylpentyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111447058

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide (CID 55662586) is N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide is COCCOc1ccc(CNC(=O)c2cccnc2Sc2ccccc2)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is OANHFCKAXCGPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-26-14-15-27-18-11-9-17(10-12-18)16-24-21(25)20-8-5-13-23-22(20)28-19-6-3-2-4-7-19/h2-13H,14-16H2,1H3,(H,24,25).
What are the key properties of N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide?
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 55662586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).