2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

C14H17N3O4S — CID 49312794

IUPAC2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCOc1ccc(OCCSCC(=O)Nc2nc(C)no2)cc1
InChIInChI=1S/C14H17N3O4S/c1-10-15-14(21-17-10)16-13(18)9-22-8-7-20-12-5-3-11(19-2)4-6-12/h3-6H,7-9H2,1-2H3,(H,15,16,17,18)
InChIKeyQDKUBRKGPXOXAO-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.14
Rot. Bonds8

About 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (PubChem CID 49312794) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
PubChem CID49312794
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCOc1ccc(OCCSCC(=O)Nc2nc(C)no2)cc1
InChIInChI=1S/C14H17N3O4S/c1-10-15-14(21-17-10)16-13(18)9-22-8-7-20-12-5-3-11(19-2)4-6-12/h3-6H,7-9H2,1-2H3,(H,15,16,17,18)
InChIKeyQDKUBRKGPXOXAO-UHFFFAOYSA-N
XLogP2.14
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089301
N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089378
N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089312
2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731594
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31089360
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide
CID 49313212
N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
CID 31544280
N-(2,5-dimethoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31547774
2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 47235328
N-(4-methoxyphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 40589293
methyl 4-[[2-[2-(4-methylphenoxy)ethylsulfanyl]acetyl]amino]benzoate
CID 31543376
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 96559554

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The IUPAC name of 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (CID 49312794) is 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is COc1ccc(OCCSCC(=O)Nc2nc(C)no2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The InChIKey is QDKUBRKGPXOXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-10-15-14(21-17-10)16-13(18)9-22-8-7-20-12-5-3-11(19-2)4-6-12/h3-6H,7-9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide has a molecular weight of 323.37 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is sourced from PubChem (CID 49312794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).