2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide

C24H29N5OS — CID 16586235

About 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide

2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide (PubChem CID 16586235) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide
• PubChem CID: 16586235
• Molecular Formula: C24H29N5OS
• Molecular Weight: 435.60 g/mol
• Exact Mass: 435.21
• IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide
• SMILES: CC(NC(=O)CSc1nnc(N2CCCCC2)n1C1CC1)c1ccc2ccccc2c1
• InChI: InChI=1S/C24H29N5OS/c1-17(19-10-9-18-7-3-4-8-20(18)15-19)25-22(30)16-31-24-27-26-23(29(24)21-11-12-21)28-13-5-2-6-14-28/h3-4,7-10,15,17,21H,2,5-6,11-14,16H2,1H3,(H,25,30)
• InChIKey: OSURJXVJGKOIKE-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.60
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide?

The IUPAC name of 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide (CID 16586235) is 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide.

What is the SMILES notation for 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide?

The canonical SMILES for 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide is CC(NC(=O)CSc1nnc(N2CCCCC2)n1C1CC1)c1ccc2ccccc2c1.

What is the InChIKey of 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide?

The InChIKey is OSURJXVJGKOIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-17(19-10-9-18-7-3-4-8-20(18)15-19)25-22(30)16-31-24-27-26-23(29(24)21-11-12-21)28-13-5-2-6-14-28/h3-4,7-10,15,17,21H,2,5-6,11-14,16H2,1H3,(H,25,30).

What are the key properties of 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide?

2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide has a molecular weight of 435.60 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide is sourced from PubChem (CID 16586235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).