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

C17H16N4OS2 — CID 2343526

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCn1cnnc1SCC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C17H16N4OS2/c1-21-12-18-20-17(21)23-11-16(22)19-14-9-5-6-10-15(14)24-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,22)
InChIKeyYLJBQDGKULIRMG-UHFFFAOYSA-N
MW356.48 g/mol
LogP3.70
Rot. Bonds6

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

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 2343526) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID2343526
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCn1cnnc1SCC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C17H16N4OS2/c1-21-12-18-20-17(21)23-11-16(22)19-14-9-5-6-10-15(14)24-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,22)
InChIKeyYLJBQDGKULIRMG-UHFFFAOYSA-N
XLogP3.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide (CID 2343526) is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide is Cn1cnnc1SCC(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is YLJBQDGKULIRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS2/c1-21-12-18-20-17(21)23-11-16(22)19-14-9-5-6-10-15(14)24-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,22).
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 356.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 2343526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).