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

C22H24N2O3S — CID 46301952

IUPACN-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2cc(C)c3cccc(C)c3n2)cc1OC
InChIInChI=1S/C22H24N2O3S/c1-13-7-6-8-17-14(2)11-20(24-21(13)17)28-15(3)22(25)23-16-9-10-18(26-4)19(12-16)27-5/h6-12,15H,1-5H3,(H,23,25)
InChIKeyCKRUTBRNQIXNKB-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.99
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide (PubChem CID 46301952) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
PubChem CID46301952
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2cc(C)c3cccc(C)c3n2)cc1OC
InChIInChI=1S/C22H24N2O3S/c1-13-7-6-8-17-14(2)11-20(24-21(13)17)28-15(3)22(25)23-16-9-10-18(26-4)19(12-16)27-5/h6-12,15H,1-5H3,(H,23,25)
InChIKeyCKRUTBRNQIXNKB-UHFFFAOYSA-N
XLogP4.99
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363693
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363756
(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363698
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 46302335
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 9456586
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 46302411
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 46302049
2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 4821234
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 42345164
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7743634
(2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42272508
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8952780

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide (CID 46301952) is N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide is COc1ccc(NC(=O)C(C)Sc2cc(C)c3cccc(C)c3n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The InChIKey is CKRUTBRNQIXNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-13-7-6-8-17-14(2)11-20(24-21(13)17)28-15(3)22(25)23-16-9-10-18(26-4)19(12-16)27-5/h6-12,15H,1-5H3,(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide has a molecular weight of 396.51 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 46301952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).