N-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide

C15H17N5O4S — CID 3386775

IUPACN-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2nn3cnnc3o2)c1
InChIInChI=1S/C15H17N5O4S/c1-3-22-10-5-6-12(23-4-2)11(7-10)17-13(21)8-25-15-19-20-9-16-18-14(20)24-15/h5-7,9H,3-4,8H2,1-2H3,(H,17,21)
InChIKeyPLUQYLFUYPVCBW-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.25
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide

N-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide (PubChem CID 3386775) has the molecular formula C15H17N5O4S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide
PubChem CID3386775
Molecular FormulaC15H17N5O4S
Molecular Weight363.40 g/mol
Exact Mass363.10
IUPAC NameN-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2nn3cnnc3o2)c1
InChIInChI=1S/C15H17N5O4S/c1-3-22-10-5-6-12(23-4-2)11(7-10)17-13(21)8-25-15-19-20-9-16-18-14(20)24-15/h5-7,9H,3-4,8H2,1-2H3,(H,17,21)
InChIKeyPLUQYLFUYPVCBW-UHFFFAOYSA-N
XLogP2.25
TPSA103.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-diethoxyphenyl)acetamide
CID 4242949
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
N-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4035892
N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 43000702
N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 863167
2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 36609082
N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 36528919
N-(2,5-diethoxyphenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 42351961
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-diethoxyphenyl)acetamide
CID 37056388
N-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1175567
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
N-(2-ethoxyphenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3370922

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide (CID 3386775) is N-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide is CCOc1ccc(OCC)c(NC(=O)CSc2nn3cnnc3o2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide?
The InChIKey is PLUQYLFUYPVCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4S/c1-3-22-10-5-6-12(23-4-2)11(7-10)17-13(21)8-25-15-19-20-9-16-18-14(20)24-15/h5-7,9H,3-4,8H2,1-2H3,(H,17,21).
What are the key properties of N-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide?
N-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide has a molecular weight of 363.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide is sourced from PubChem (CID 3386775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).