2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide

C19H22N4O2S — CID 51329034

About 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide

2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide (PubChem CID 51329034) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
• PubChem CID: 51329034
• Molecular Formula: C19H22N4O2S
• Molecular Weight: 370.48 g/mol
• Exact Mass: 370.15
• IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
• SMILES: Cc1ccc(C(C)NC(=O)CSc2nnc(C)n2Cc2ccccc2)o1
• InChI: InChI=1S/C19H22N4O2S/c1-13-9-10-17(25-13)14(2)20-18(24)12-26-19-22-21-15(3)23(19)11-16-7-5-4-6-8-16/h4-10,14H,11-12H2,1-3H3,(H,20,24)
• InChIKey: RHVPPOQDHZJBDH-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.48
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide (CID 51329034) is 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide.

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

The canonical SMILES for 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)CSc2nnc(C)n2Cc2ccccc2)o1.

What is the InChIKey of 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide?

The InChIKey is RHVPPOQDHZJBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13-9-10-17(25-13)14(2)20-18(24)12-26-19-22-21-15(3)23(19)11-16-7-5-4-6-8-16/h4-10,14H,11-12H2,1-3H3,(H,20,24).

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

2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide has a molecular weight of 370.48 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 51329034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).