2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-ylphenyl)acetamide

C19H26N4OS — CID 24579080

About 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-ylphenyl)acetamide

2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 24579080) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-ylphenyl)acetamide
• PubChem CID: 24579080
• Molecular Formula: C19H26N4OS
• Molecular Weight: 358.51 g/mol
• Exact Mass: 358.18
• IUPAC Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1cccc(NC(=O)CSc2nnc(C(C)C)n2C2CC2)c1
• InChI: InChI=1S/C19H26N4OS/c1-12(2)14-6-5-7-15(10-14)20-17(24)11-25-19-22-21-18(13(3)4)23(19)16-8-9-16/h5-7,10,12-13,16H,8-9,11H2,1-4H3,(H,20,24)
• InChIKey: QONIVJIQOLJIDG-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.51
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-ylphenyl)acetamide (CID 24579080) is 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-ylphenyl)acetamide.

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

The canonical SMILES for 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)CSc2nnc(C(C)C)n2C2CC2)c1.

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

The InChIKey is QONIVJIQOLJIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-12(2)14-6-5-7-15(10-14)20-17(24)11-25-19-22-21-18(13(3)4)23(19)16-8-9-16/h5-7,10,12-13,16H,8-9,11H2,1-4H3,(H,20,24).

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

2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 358.51 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 24579080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).