2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide

C24H24N6O3S — CID 55549248

About 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide

2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide (PubChem CID 55549248) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
• PubChem CID: 55549248
• Molecular Formula: C24H24N6O3S
• Molecular Weight: 476.56 g/mol
• Exact Mass: 476.16
• IUPAC Name: 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
• SMILES: O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)Nc1ccc(N2CCOCC2)cn1
• InChI: InChI=1S/C24H24N6O3S/c31-22(26-21-9-8-19(15-25-21)29-10-13-32-14-11-29)17-34-24-28-27-23(20-7-4-12-33-20)30(24)16-18-5-2-1-3-6-18/h1-9,12,15H,10-11,13-14,16-17H2,(H,25,26,31)
• InChIKey: CHZUNVPLJSHFHJ-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 98.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.56
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide?

The IUPAC name of 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide (CID 55549248) is 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide.

What is the SMILES notation for 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide?

The canonical SMILES for 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide is O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)Nc1ccc(N2CCOCC2)cn1.

What is the InChIKey of 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide?

The InChIKey is CHZUNVPLJSHFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c31-22(26-21-9-8-19(15-25-21)29-10-13-32-14-11-29)17-34-24-28-27-23(20-7-4-12-33-20)30(24)16-18-5-2-1-3-6-18/h1-9,12,15H,10-11,13-14,16-17H2,(H,25,26,31).

What are the key properties of 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide?

2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide has a molecular weight of 476.56 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 55549248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).