N-cyclopropyl-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyridin-2-ylethyl)acetamide

C26H24FN5OS — CID 55921200

About N-cyclopropyl-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyridin-2-ylethyl)acetamide

N-cyclopropyl-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyridin-2-ylethyl)acetamide (PubChem CID 55921200) has the molecular formula C26H24FN5OS and a molecular weight of 473.58 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyridin-2-ylethyl)acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyridin-2-ylethyl)acetamide
• PubChem CID: 55921200
• Molecular Formula: C26H24FN5OS
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.17
• IUPAC Name: N-cyclopropyl-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyridin-2-ylethyl)acetamide
• SMILES: CC(c1ccccn1)N(C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1)C1CC1
• InChI: InChI=1S/C26H24FN5OS/c1-18(23-13-7-8-16-28-23)31(20-14-15-20)24(33)17-34-26-30-29-25(21-11-5-6-12-22(21)27)32(26)19-9-3-2-4-10-19/h2-13,16,18,20H,14-15,17H2,1H3
• InChIKey: QLFFDUVYGAXELZ-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyridin-2-ylethyl)acetamide (CID 55921200) is N-cyclopropyl-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyridin-2-ylethyl)acetamide.

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

The canonical SMILES for N-cyclopropyl-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyridin-2-ylethyl)acetamide is CC(c1ccccn1)N(C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1)C1CC1.

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

The InChIKey is QLFFDUVYGAXELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5OS/c1-18(23-13-7-8-16-28-23)31(20-14-15-20)24(33)17-34-26-30-29-25(21-11-5-6-12-22(21)27)32(26)19-9-3-2-4-10-19/h2-13,16,18,20H,14-15,17H2,1H3.

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

N-cyclopropyl-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyridin-2-ylethyl)acetamide has a molecular weight of 473.58 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 55921200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).