N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide

C20H20N2O2S — CID 22695408

IUPACN-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
SMILESCOc1cccc2c(C)cc(SCC(=O)NCc3ccccc3)nc12
InChIInChI=1S/C20H20N2O2S/c1-14-11-19(22-20-16(14)9-6-10-17(20)24-2)25-13-18(23)21-12-15-7-4-3-5-8-15/h3-11H,12-13H2,1-2H3,(H,21,23)
InChIKeyLZVVYZVZTPGCQZ-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.96
Rot. Bonds6

About N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide

N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 22695408) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID22695408
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
SMILESCOc1cccc2c(C)cc(SCC(=O)NCc3ccccc3)nc12
InChIInChI=1S/C20H20N2O2S/c1-14-11-19(22-20-16(14)9-6-10-17(20)24-2)25-13-18(23)21-12-15-7-4-3-5-8-15/h3-11H,12-13H2,1-2H3,(H,21,23)
InChIKeyLZVVYZVZTPGCQZ-UHFFFAOYSA-N
XLogP3.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 46302853
N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302952
N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302871
N-(2,4-dichlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302825
1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone
CID 46302921
2-[(8-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]benzoic acid
CID 46302924
N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide
CID 46302890
N-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 4852619
propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 46302834
8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline
CID 46302811
4-[[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]methyl]benzoic acid
CID 4791146
N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 23611311

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide (CID 22695408) is N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide is COc1cccc2c(C)cc(SCC(=O)NCc3ccccc3)nc12.
What is the InChIKey of N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is LZVVYZVZTPGCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14-11-19(22-20-16(14)9-6-10-17(20)24-2)25-13-18(23)21-12-15-7-4-3-5-8-15/h3-11H,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 352.46 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 22695408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).