2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide

C15H14N4OS — CID 2515202

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide
SMILESCn1cnnc1SCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H14N4OS/c1-19-10-16-18-15(19)21-9-14(20)17-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10H,9H2,1H3,(H,17,20)
InChIKeyJLBQGDGQMUFMHI-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.70
Rot. Bonds4

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

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide (PubChem CID 2515202) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide
PubChem CID2515202
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide
SMILESCn1cnnc1SCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H14N4OS/c1-19-10-16-18-15(19)21-9-14(20)17-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10H,9H2,1H3,(H,17,20)
InChIKeyJLBQGDGQMUFMHI-UHFFFAOYSA-N
XLogP2.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide (CID 2515202) is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide is Cn1cnnc1SCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide?
The InChIKey is JLBQGDGQMUFMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-19-10-16-18-15(19)21-9-14(20)17-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10H,9H2,1H3,(H,17,20).
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide?
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide has a molecular weight of 298.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 2515202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).