(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide

C22H23N3O2S — CID 7363693

IUPAC(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2cc(C)c3cccc(C)c3n2)cc1
InChIInChI=1S/C22H23N3O2S/c1-13-6-5-7-19-14(2)12-20(25-21(13)19)28-15(3)22(27)24-18-10-8-17(9-11-18)23-16(4)26/h5-12,15H,1-4H3,(H,23,26)(H,24,27)/t15-/m0/s1
InChIKeyNKZVLKGJAIYMFE-HNNXBMFYSA-N
MW393.51 g/mol
LogP4.93
Rot. Bonds5

About (2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide

(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide (PubChem CID 7363693) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
PubChem CID7363693
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2cc(C)c3cccc(C)c3n2)cc1
InChIInChI=1S/C22H23N3O2S/c1-13-6-5-7-19-14(2)12-20(25-21(13)19)28-15(3)22(27)24-18-10-8-17(9-11-18)23-16(4)26/h5-12,15H,1-4H3,(H,23,26)(H,24,27)/t15-/m0/s1
InChIKeyNKZVLKGJAIYMFE-HNNXBMFYSA-N
XLogP4.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363698
N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 46301952
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 9456586
(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
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 46302049
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8952780
2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 4821234
(2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7743628
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 46301970
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-hydroxyphenyl)butanamide
CID 46302009
(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 7743647

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide (CID 7363693) is (2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide is CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2cc(C)c3cccc(C)c3n2)cc1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The InChIKey is NKZVLKGJAIYMFE-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-13-6-5-7-19-14(2)12-20(25-21(13)19)28-15(3)22(27)24-18-10-8-17(9-11-18)23-16(4)26/h5-12,15H,1-4H3,(H,23,26)(H,24,27)/t15-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide has a molecular weight of 393.51 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 7363693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).