2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide

C22H21N3O2S — CID 995950

IUPAC2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3cc(C)ccc3C)c(C#N)cc2c1
InChIInChI=1S/C22H21N3O2S/c1-4-27-18-7-8-19-16(11-18)10-17(12-23)22(25-19)28-13-21(26)24-20-9-14(2)5-6-15(20)3/h5-11H,4,13H2,1-3H3,(H,24,26)
InChIKeyFHGKKFUJVUAUBL-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.85
Rot. Bonds6

About 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide

2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide (PubChem CID 995950) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
PubChem CID995950
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3cc(C)ccc3C)c(C#N)cc2c1
InChIInChI=1S/C22H21N3O2S/c1-4-27-18-7-8-19-16(11-18)10-17(12-23)22(25-19)28-13-21(26)24-20-9-14(2)5-6-15(20)3/h5-11H,4,13H2,1-3H3,(H,24,26)
InChIKeyFHGKKFUJVUAUBL-UHFFFAOYSA-N
XLogP4.85
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide 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

N-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 1207078
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1450405
6-ethoxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 1207114
methyl 4-[[2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995960
methyl 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetate
CID 865487
2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide
CID 865483
2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 3207807
2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 1207153
N-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide
CID 43812451
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 1143745
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 1450389
N-(3-chloro-4-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 1373542

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide (CID 995950) is 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide is CCOc1ccc2nc(SCC(=O)Nc3cc(C)ccc3C)c(C#N)cc2c1.
What is the InChIKey of 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is FHGKKFUJVUAUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-4-27-18-7-8-19-16(11-18)10-17(12-23)22(25-19)28-13-21(26)24-20-9-14(2)5-6-15(20)3/h5-11H,4,13H2,1-3H3,(H,24,26).
What are the key properties of 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 391.50 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 995950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).