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

C20H22N4OS — CID 1021236

IUPAC2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCn1c(Cc2ccccc2)nnc1SCC(=O)NCCc1ccccc1
InChIInChI=1S/C20H22N4OS/c1-24-18(14-17-10-6-3-7-11-17)22-23-20(24)26-15-19(25)21-13-12-16-8-4-2-5-9-16/h2-11H,12-15H2,1H3,(H,21,25)
InChIKeyWZQWPQJKZKHXEN-UHFFFAOYSA-N
MW366.49 g/mol
LogP2.86
Rot. Bonds8

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

2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 1021236) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID1021236
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCn1c(Cc2ccccc2)nnc1SCC(=O)NCCc1ccccc1
InChIInChI=1S/C20H22N4OS/c1-24-18(14-17-10-6-3-7-11-17)22-23-20(24)26-15-19(25)21-13-12-16-8-4-2-5-9-16/h2-11H,12-15H2,1H3,(H,21,25)
InChIKeyWZQWPQJKZKHXEN-UHFFFAOYSA-N
XLogP2.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide (CID 1021236) is 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide is Cn1c(Cc2ccccc2)nnc1SCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is WZQWPQJKZKHXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-24-18(14-17-10-6-3-7-11-17)22-23-20(24)26-15-19(25)21-13-12-16-8-4-2-5-9-16/h2-11H,12-15H2,1H3,(H,21,25).
What are the key properties of 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 1021236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).