3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide

C21H22N2O2S — CID 46302888

IUPAC3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
SMILESCOc1cccc2c(C)cc(SCCC(=O)Nc3ccc(C)cc3)nc12
InChIInChI=1S/C21H22N2O2S/c1-14-7-9-16(10-8-14)22-19(24)11-12-26-20-13-15(2)17-5-4-6-18(25-3)21(17)23-20/h4-10,13H,11-12H2,1-3H3,(H,22,24)
InChIKeyGHJJVSPQCBNIGQ-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.98
Rot. Bonds6

About 3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide

3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide (PubChem CID 46302888) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
PubChem CID46302888
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
SMILESCOc1cccc2c(C)cc(SCCC(=O)Nc3ccc(C)cc3)nc12
InChIInChI=1S/C21H22N2O2S/c1-14-7-9-16(10-8-14)22-19(24)11-12-26-20-13-15(2)17-5-4-6-18(25-3)21(17)23-20/h4-10,13H,11-12H2,1-3H3,(H,22,24)
InChIKeyGHJJVSPQCBNIGQ-UHFFFAOYSA-N
XLogP4.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.98
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-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 39766635
N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide
CID 46302890
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 39757967
N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 22695408
N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302871
N-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide
CID 46302357
propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 46302834
N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302952
3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 39766703
1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone
CID 46302921
N-(2,4-dichlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302825

Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide (CID 46302888) is 3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide is COc1cccc2c(C)cc(SCCC(=O)Nc3ccc(C)cc3)nc12.
What is the InChIKey of 3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide?
The InChIKey is GHJJVSPQCBNIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-14-7-9-16(10-8-14)22-19(24)11-12-26-20-13-15(2)17-5-4-6-18(25-3)21(17)23-20/h4-10,13H,11-12H2,1-3H3,(H,22,24).
What are the key properties of 3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide?
3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide has a molecular weight of 366.49 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 46302888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).