4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide

C20H20N4O2S — CID 23743394

About 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide

4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide (PubChem CID 23743394) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide.

Molecular Properties

• Compound Name: 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide
• PubChem CID: 23743394
• Molecular Formula: C20H20N4O2S
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.13
• IUPAC Name: 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide
• SMILES: CC(Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1ccc(C(N)=O)cc1
• InChI: InChI=1S/C20H20N4O2S/c1-12(19(26)23-16-8-6-13(7-9-16)18(22)25)27-20-15(11-21)10-14-4-2-3-5-17(14)24-20/h6-10,12H,2-5H2,1H3,(H2,22,25)(H,23,26)
• InChIKey: FWSLOJUYSFBZHN-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 108.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide?

The IUPAC name of 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide (CID 23743394) is 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide.

What is the SMILES notation for 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide?

The canonical SMILES for 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide is CC(Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1ccc(C(N)=O)cc1.

What is the InChIKey of 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide?

The InChIKey is FWSLOJUYSFBZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-12(19(26)23-16-8-6-13(7-9-16)18(22)25)27-20-15(11-21)10-14-4-2-3-5-17(14)24-20/h6-10,12H,2-5H2,1H3,(H2,22,25)(H,23,26).

What are the key properties of 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide?

4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide has a molecular weight of 380.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide is sourced from PubChem (CID 23743394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).