2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide

C20H19N3O2S — CID 983955

IUPAC2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide
SMILESCC1(C)CC(=O)c2c(nc(SCC(N)=O)c(C#N)c2-c2ccccc2)C1
InChIInChI=1S/C20H19N3O2S/c1-20(2)8-14-18(15(24)9-20)17(12-6-4-3-5-7-12)13(10-21)19(23-14)26-11-16(22)25/h3-7H,8-9,11H2,1-2H3,(H2,22,25)
InChIKeyRTFYKCXWAQPCPP-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.35
Rot. Bonds4

About 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide

2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide (PubChem CID 983955) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide
PubChem CID983955
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide
SMILESCC1(C)CC(=O)c2c(nc(SCC(N)=O)c(C#N)c2-c2ccccc2)C1
InChIInChI=1S/C20H19N3O2S/c1-20(2)8-14-18(15(24)9-20)17(12-6-4-3-5-7-12)13(10-21)19(23-14)26-11-16(22)25/h3-7H,8-9,11H2,1-2H3,(H2,22,25)
InChIKeyRTFYKCXWAQPCPP-UHFFFAOYSA-N
XLogP3.35
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide (CID 983955) is 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide is CC1(C)CC(=O)c2c(nc(SCC(N)=O)c(C#N)c2-c2ccccc2)C1.
What is the InChIKey of 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide?
The InChIKey is RTFYKCXWAQPCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-20(2)8-14-18(15(24)9-20)17(12-6-4-3-5-7-12)13(10-21)19(23-14)26-11-16(22)25/h3-7H,8-9,11H2,1-2H3,(H2,22,25).
What are the key properties of 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide?
2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide has a molecular weight of 365.46 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 983955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).