2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)propan-2-yl]acetamide

C20H24N4O2S — CID 55614663

About 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)propan-2-yl]acetamide

2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)propan-2-yl]acetamide (PubChem CID 55614663) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)propan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)propan-2-yl]acetamide
• PubChem CID: 55614663
• Molecular Formula: C20H24N4O2S
• Molecular Weight: 384.51 g/mol
• Exact Mass: 384.16
• IUPAC Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)propan-2-yl]acetamide
• SMILES: CCn1c(SCC(=O)NC(C)Cc2ccco2)nnc1-c1ccccc1C
• InChI: InChI=1S/C20H24N4O2S/c1-4-24-19(17-10-6-5-8-14(17)2)22-23-20(24)27-13-18(25)21-15(3)12-16-9-7-11-26-16/h5-11,15H,4,12-13H2,1-3H3,(H,21,25)
• InChIKey: MGJVDVLNWLLOCO-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.51
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)propan-2-yl]acetamide (CID 55614663) is 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)propan-2-yl]acetamide.

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

The canonical SMILES for 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)propan-2-yl]acetamide is CCn1c(SCC(=O)NC(C)Cc2ccco2)nnc1-c1ccccc1C.

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

The InChIKey is MGJVDVLNWLLOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-4-24-19(17-10-6-5-8-14(17)2)22-23-20(24)27-13-18(25)21-15(3)12-16-9-7-11-26-16/h5-11,15H,4,12-13H2,1-3H3,(H,21,25).

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

2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)propan-2-yl]acetamide has a molecular weight of 384.51 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 55614663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).