3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylphenyl)propanamide

C21H23N3OS — CID 23861457

About 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylphenyl)propanamide

3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylphenyl)propanamide (PubChem CID 23861457) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylphenyl)propanamide
• PubChem CID: 23861457
• Molecular Formula: C21H23N3OS
• Molecular Weight: 365.50 g/mol
• Exact Mass: 365.16
• IUPAC Name: 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylphenyl)propanamide
• SMILES: Cc1ccccc1NC(=O)CCSc1nc2c(cc1C#N)CC(C)CC2
• InChI: InChI=1S/C21H23N3OS/c1-14-7-8-19-16(11-14)12-17(13-22)21(24-19)26-10-9-20(25)23-18-6-4-3-5-15(18)2/h3-6,12,14H,7-11H2,1-2H3,(H,23,25)
• InChIKey: NTNZIHQKGRPQRT-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 65.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.50
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylphenyl)propanamide?

The IUPAC name of 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylphenyl)propanamide (CID 23861457) is 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylphenyl)propanamide.

What is the SMILES notation for 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylphenyl)propanamide?

The canonical SMILES for 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)CCSc1nc2c(cc1C#N)CC(C)CC2.

What is the InChIKey of 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylphenyl)propanamide?

The InChIKey is NTNZIHQKGRPQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-14-7-8-19-16(11-14)12-17(13-22)21(24-19)26-10-9-20(25)23-18-6-4-3-5-15(18)2/h3-6,12,14H,7-11H2,1-2H3,(H,23,25).

What are the key properties of 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylphenyl)propanamide?

3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylphenyl)propanamide has a molecular weight of 365.50 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 23861457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).