4-ethylsulfanyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide

C16H15N3O2S2 — CID 42110027

IUPAC4-ethylsulfanyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCSc1ccc(C(=O)Nc2nnc(Cc3cccs3)o2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-2-22-12-7-5-11(6-8-12)15(20)17-16-19-18-14(21-16)10-13-4-3-9-23-13/h3-9H,2,10H2,1H3,(H,17,19,20)
InChIKeyJGKNQOCJJQONCQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.09
Rot. Bonds6

About 4-ethylsulfanyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide

4-ethylsulfanyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 42110027) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-ethylsulfanyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID42110027
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name4-ethylsulfanyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCSc1ccc(C(=O)Nc2nnc(Cc3cccs3)o2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-2-22-12-7-5-11(6-8-12)15(20)17-16-19-18-14(21-16)10-13-4-3-9-23-13/h3-9H,2,10H2,1H3,(H,17,19,20)
InChIKeyJGKNQOCJJQONCQ-UHFFFAOYSA-N
XLogP4.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-ethylsulfanyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 42110027) is 4-ethylsulfanyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-ethylsulfanyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-ethylsulfanyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is CCSc1ccc(C(=O)Nc2nnc(Cc3cccs3)o2)cc1.
What is the InChIKey of 4-ethylsulfanyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is JGKNQOCJJQONCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-2-22-12-7-5-11(6-8-12)15(20)17-16-19-18-14(21-16)10-13-4-3-9-23-13/h3-9H,2,10H2,1H3,(H,17,19,20).
What are the key properties of 4-ethylsulfanyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-ethylsulfanyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 345.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 42110027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).