2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C19H17N3OS2 — CID 1450216

IUPAC2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(C)c2nc(SCC(=O)NCc3cccs3)c(C#N)cc12
InChIInChI=1S/C19H17N3OS2/c1-12-5-6-13(2)18-16(12)8-14(9-20)19(22-18)25-11-17(23)21-10-15-4-3-7-24-15/h3-8H,10-11H2,1-2H3,(H,21,23)
InChIKeyYPJRYNWORMMGEI-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.19
Rot. Bonds5

About 2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1450216) has the molecular formula C19H17N3OS2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1450216
Molecular FormulaC19H17N3OS2
Molecular Weight367.50 g/mol
Exact Mass367.08
IUPAC Name2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(C)c2nc(SCC(=O)NCc3cccs3)c(C#N)cc12
InChIInChI=1S/C19H17N3OS2/c1-12-5-6-13(2)18-16(12)8-14(9-20)19(22-18)25-11-17(23)21-10-15-4-3-7-24-15/h3-8H,10-11H2,1-2H3,(H,21,23)
InChIKeyYPJRYNWORMMGEI-UHFFFAOYSA-N
XLogP4.19
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 1450216) is 2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(C)c2nc(SCC(=O)NCc3cccs3)c(C#N)cc12.
What is the InChIKey of 2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YPJRYNWORMMGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS2/c1-12-5-6-13(2)18-16(12)8-14(9-20)19(22-18)25-11-17(23)21-10-15-4-3-7-24-15/h3-8H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 367.50 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1450216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).