N-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide

C22H19N3O2S — CID 1450219

IUPACN-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c1
InChIInChI=1S/C22H19N3O2S/c1-13-7-8-14(2)21-19(13)10-17(11-23)22(25-21)28-12-20(27)24-18-6-4-5-16(9-18)15(3)26/h4-10H,12H2,1-3H3,(H,24,27)
InChIKeyQJEQRGQOZVEUSE-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.66
Rot. Bonds5

About N-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide

N-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 1450219) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide
PubChem CID1450219
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c1
InChIInChI=1S/C22H19N3O2S/c1-13-7-8-14(2)21-19(13)10-17(11-23)22(25-21)28-12-20(27)24-18-6-4-5-16(9-18)15(3)26/h4-10H,12H2,1-3H3,(H,24,27)
InChIKeyQJEQRGQOZVEUSE-UHFFFAOYSA-N
XLogP4.66
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 1374606
2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 1207153
2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 1207152
2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 3207702
2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 1450202
N-(2,6-dimethylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169549
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 865131
2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 18171664
N-(4-acetylphenyl)-2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanylacetamide
CID 1450283
N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169552
ethyl 4-[[2-(3-cyano-8-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1374548
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 3207649

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide (CID 1450219) is N-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide is CC(=O)c1cccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is QJEQRGQOZVEUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-13-7-8-14(2)21-19(13)10-17(11-23)22(25-21)28-12-20(27)24-18-6-4-5-16(9-18)15(3)26/h4-10H,12H2,1-3H3,(H,24,27).
What are the key properties of N-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide?
N-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 389.48 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1450219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).