2-(4-ethylsulfanylphenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

C18H17N3O2S — CID 8700957

IUPAC2-(4-ethylsulfanylphenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O2S/c1-2-24-15-10-8-13(9-11-15)12-16(22)19-18-21-20-17(23-18)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,21,22)
InChIKeyITXIPBAELLYMGP-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.03
Rot. Bonds6

About 2-(4-ethylsulfanylphenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

2-(4-ethylsulfanylphenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 8700957) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID8700957
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(4-ethylsulfanylphenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O2S/c1-2-24-15-10-8-13(9-11-15)12-16(22)19-18-21-20-17(23-18)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,21,22)
InChIKeyITXIPBAELLYMGP-UHFFFAOYSA-N
XLogP4.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide (CID 8700957) is 2-(4-ethylsulfanylphenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide is CCSc1ccc(CC(=O)Nc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is ITXIPBAELLYMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-2-24-15-10-8-13(9-11-15)12-16(22)19-18-21-20-17(23-18)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,21,22).
What are the key properties of 2-(4-ethylsulfanylphenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
2-(4-ethylsulfanylphenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 8700957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).