N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide

C22H24N2OS — CID 27861043

IUPACN-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NCCSCc1ccccc1
InChIInChI=1S/C22H24N2OS/c1-16-19-10-6-7-11-21(19)24-17(2)20(16)14-22(25)23-12-13-26-15-18-8-4-3-5-9-18/h3-11H,12-15H2,1-2H3,(H,23,25)
InChIKeyWHPCDGBQLBDBRF-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.44
Rot. Bonds7

About N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide

N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide (PubChem CID 27861043) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
PubChem CID27861043
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC NameN-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NCCSCc1ccccc1
InChIInChI=1S/C22H24N2OS/c1-16-19-10-6-7-11-21(19)24-17(2)20(16)14-22(25)23-12-13-26-15-18-8-4-3-5-9-18/h3-11H,12-15H2,1-2H3,(H,23,25)
InChIKeyWHPCDGBQLBDBRF-UHFFFAOYSA-N
XLogP4.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylquinolin-3-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 18113732
N-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 55726824
2-(2,4-dimethylquinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 27256543
2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 17393557
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-benzylsulfanylethyl)acetamide
CID 17405103
2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 18160718
2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436050
2-(2,4-dimethylquinolin-3-yl)-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 52706430
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 134039609
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 18163674
2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide
CID 8839348
2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide
CID 32925933

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide (CID 27861043) is N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide is Cc1nc2ccccc2c(C)c1CC(=O)NCCSCc1ccccc1.
What is the InChIKey of N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide?
The InChIKey is WHPCDGBQLBDBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-16-19-10-6-7-11-21(19)24-17(2)20(16)14-22(25)23-12-13-26-15-18-8-4-3-5-9-18/h3-11H,12-15H2,1-2H3,(H,23,25).
What are the key properties of N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide?
N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide has a molecular weight of 364.51 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide is sourced from PubChem (CID 27861043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).