2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide

C19H18IN3O2S — CID 92658768

IUPAC2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide
SMILESCCc1ccc(Cc2nnc(SCC(=O)Nc3cccc(I)c3)o2)cc1
InChIInChI=1S/C19H18IN3O2S/c1-2-13-6-8-14(9-7-13)10-18-22-23-19(25-18)26-12-17(24)21-16-5-3-4-15(20)11-16/h3-9,11H,2,10,12H2,1H3,(H,21,24)
InChIKeyFXEPMKOQLARJAB-UHFFFAOYSA-N
MW479.34 g/mol
LogP4.56
Rot. Bonds7

About 2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide

2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide (PubChem CID 92658768) has the molecular formula C19H18IN3O2S and a molecular weight of 479.34 g/mol. Its IUPAC name is 2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide
PubChem CID92658768
Molecular FormulaC19H18IN3O2S
Molecular Weight479.34 g/mol
Exact Mass479.02
IUPAC Name2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide
SMILESCCc1ccc(Cc2nnc(SCC(=O)Nc3cccc(I)c3)o2)cc1
InChIInChI=1S/C19H18IN3O2S/c1-2-13-6-8-14(9-7-13)10-18-22-23-19(25-18)26-12-17(24)21-16-5-3-4-15(20)11-16/h3-9,11H,2,10,12H2,1H3,(H,21,24)
InChIKeyFXEPMKOQLARJAB-UHFFFAOYSA-N
XLogP4.56
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.34
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
CID 7994747
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide
CID 102630631
N-(4-acetylphenyl)-2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92658769
N-(2,3-dichlorophenyl)-2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92658744
ethyl 3-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 986355
N-(3-chlorophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1298857
propan-2-yl 3-[[2-[[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 19060590
N-(4-methylphenyl)-2-[[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 19060549
N-(3-iodophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112782883
2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126335946
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-4-ylacetamide
CID 4044910
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 3943131

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide?
The IUPAC name of 2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide (CID 92658768) is 2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide.
What is the SMILES notation for 2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide?
The canonical SMILES for 2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide is CCc1ccc(Cc2nnc(SCC(=O)Nc3cccc(I)c3)o2)cc1.
What is the InChIKey of 2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide?
The InChIKey is FXEPMKOQLARJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18IN3O2S/c1-2-13-6-8-14(9-7-13)10-18-22-23-19(25-18)26-12-17(24)21-16-5-3-4-15(20)11-16/h3-9,11H,2,10,12H2,1H3,(H,21,24).
What are the key properties of 2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide?
2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide has a molecular weight of 479.34 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide is sourced from PubChem (CID 92658768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).