2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide

C18H17N3O3S — CID 2235406

IUPAC2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
SMILESCCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)o1
InChIInChI=1S/C18H17N3O3S/c1-2-23-15-11-7-6-10-14(15)17-20-21-18(24-17)25-12-16(22)19-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,22)
InChIKeyNLWZKJQMACWCNI-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.87
Rot. Bonds7

About 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide

2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide (PubChem CID 2235406) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
PubChem CID2235406
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
SMILESCCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)o1
InChIInChI=1S/C18H17N3O3S/c1-2-23-15-11-7-6-10-14(15)17-20-21-18(24-17)25-12-16(22)19-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,22)
InChIKeyNLWZKJQMACWCNI-UHFFFAOYSA-N
XLogP3.87
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide (CID 2235406) is 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide is CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)o1.
What is the InChIKey of 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is NLWZKJQMACWCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-2-23-15-11-7-6-10-14(15)17-20-21-18(24-17)25-12-16(22)19-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,22).
What are the key properties of 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 355.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 2235406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).