2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(1,2,4-triazol-4-yl)acetamide

C15H15N5O3S — CID 973257

IUPAC2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(1,2,4-triazol-4-yl)acetamide
SMILESCN(CC(=O)Nn1cnnc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15N5O3S/c1-19(9-15(21)18-20-10-16-17-11-20)24(22,23)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,10-11H,9H2,1H3,(H,18,21)
InChIKeyIRIKLWXOEHLCLK-UHFFFAOYSA-N
MW345.38 g/mol
LogP0.82
Rot. Bonds5

About 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(1,2,4-triazol-4-yl)acetamide

2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 973257) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID973257
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(1,2,4-triazol-4-yl)acetamide
SMILESCN(CC(=O)Nn1cnnc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15N5O3S/c1-19(9-15(21)18-20-10-16-17-11-20)24(22,23)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,10-11H,9H2,1H3,(H,18,21)
InChIKeyIRIKLWXOEHLCLK-UHFFFAOYSA-N
XLogP0.82
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(1,2,4-triazol-4-yl)acetamide (CID 973257) is 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(1,2,4-triazol-4-yl)acetamide is CN(CC(=O)Nn1cnnc1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is IRIKLWXOEHLCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-19(9-15(21)18-20-10-16-17-11-20)24(22,23)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,10-11H,9H2,1H3,(H,18,21).
What are the key properties of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(1,2,4-triazol-4-yl)acetamide?
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 345.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 973257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).