N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide

C14H12N4OS — CID 6492812

IUPACN-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESO=C(CSc1cn[nH]n1)Nc1cccc2ccccc12
InChIInChI=1S/C14H12N4OS/c19-13(9-20-14-8-15-18-17-14)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-8H,9H2,(H,16,19)(H,15,17,18)
InChIKeyYAMDOCAUGCJWKV-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.69
Rot. Bonds4

About N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide

N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide (PubChem CID 6492812) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide
PubChem CID6492812
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC NameN-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESO=C(CSc1cn[nH]n1)Nc1cccc2ccccc12
InChIInChI=1S/C14H12N4OS/c19-13(9-20-14-8-15-18-17-14)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-8H,9H2,(H,16,19)(H,15,17,18)
InChIKeyYAMDOCAUGCJWKV-UHFFFAOYSA-N
XLogP2.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 73254490
2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 7183983
N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6411115
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 56735268
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
4-methyl-3-[[2-(2H-triazol-4-ylsulfanyl)acetyl]amino]benzoic acid
CID 71296684
N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide
CID 21371017
N-naphthalen-1-yl-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 135620276
2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 7398798
N-naphthalen-1-yl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3998683
2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 863146
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide?
The IUPAC name of N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide (CID 6492812) is N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide is O=C(CSc1cn[nH]n1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide?
The InChIKey is YAMDOCAUGCJWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c19-13(9-20-14-8-15-18-17-14)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-8H,9H2,(H,16,19)(H,15,17,18).
What are the key properties of N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide?
N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide has a molecular weight of 284.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide is sourced from PubChem (CID 6492812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).