N-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide

C22H24N2O3S — CID 39766635

IUPACN-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2cc(C)c3cccc(C)c3n2)c(OC)c1
InChIInChI=1S/C22H24N2O3S/c1-14-6-5-7-17-15(2)12-21(24-22(14)17)28-11-10-20(25)23-18-9-8-16(26-3)13-19(18)27-4/h5-9,12-13H,10-11H2,1-4H3,(H,23,25)
InChIKeyAWQIVSFWXUJBJV-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.99
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide

N-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide (PubChem CID 39766635) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
PubChem CID39766635
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2cc(C)c3cccc(C)c3n2)c(OC)c1
InChIInChI=1S/C22H24N2O3S/c1-14-6-5-7-17-15(2)12-21(24-22(14)17)28-11-10-20(25)23-18-9-8-16(26-3)13-19(18)27-4/h5-9,12-13H,10-11H2,1-4H3,(H,23,25)
InChIKeyAWQIVSFWXUJBJV-UHFFFAOYSA-N
XLogP4.99
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 39766703
3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
CID 46302888
N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23746050
3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 39766697
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302952
N-(2,4-dimethoxyphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036046
N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide
CID 110423070
N-(2,4-dichlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302825
N-(2,4-dimethoxyphenyl)-3-(11,12,14-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-13-ylsulfanyl)propanamide
CID 23861396
N-(2,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020224
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40529800

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide (CID 39766635) is N-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide is COc1ccc(NC(=O)CCSc2cc(C)c3cccc(C)c3n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The InChIKey is AWQIVSFWXUJBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-14-6-5-7-17-15(2)12-21(24-22(14)17)28-11-10-20(25)23-18-9-8-16(26-3)13-19(18)27-4/h5-9,12-13H,10-11H2,1-4H3,(H,23,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
N-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide has a molecular weight of 396.51 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 39766635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).