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

C16H16N4OS — CID 4842920

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide
SMILESCC(Sc1nncn1C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H16N4OS/c1-11(22-16-19-17-10-20(16)2)15(21)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,18,21)
InChIKeyQOKJOSLPRZGOQT-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.09
Rot. Bonds4

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

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide (PubChem CID 4842920) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide
PubChem CID4842920
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide
SMILESCC(Sc1nncn1C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H16N4OS/c1-11(22-16-19-17-10-20(16)2)15(21)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,18,21)
InChIKeyQOKJOSLPRZGOQT-UHFFFAOYSA-N
XLogP3.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 859344
2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)acetamide
CID 16073053
N-tert-butylphenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 2241602
2-(4-Amino-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-cyclohexyl-phenyl)-acetamide
CID 646068
N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 684398
N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 684400
2-(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-2H-quinolin-1-yl)-ethanone
CID 698446
N-(2,4-dimethylphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 857567
N-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2360235
N-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2479142
N-(3,4-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide
CID 3344345
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3658453

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide (CID 4842920) is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide is CC(Sc1nncn1C)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide?
The InChIKey is QOKJOSLPRZGOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11(22-16-19-17-10-20(16)2)15(21)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,18,21).
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide?
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide has a molecular weight of 312.40 g/mol, XLogP of 3.09, 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-ylpropanamide is sourced from PubChem (CID 4842920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).