4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

C15H13N3O5S — CID 7295297

IUPAC4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C15H13N3O5S/c1-2-24(20,21)11-7-5-10(6-8-11)13(19)16-15-18-17-14(23-15)12-4-3-9-22-12/h3-9H,2H2,1H3,(H,16,18,19)
InChIKeyDJZDUCUWDGSZBV-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.38
Rot. Bonds5

About 4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 7295297) has the molecular formula C15H13N3O5S and a molecular weight of 347.35 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID7295297
Molecular FormulaC15H13N3O5S
Molecular Weight347.35 g/mol
Exact Mass347.06
IUPAC Name4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C15H13N3O5S/c1-2-24(20,21)11-7-5-10(6-8-11)13(19)16-15-18-17-14(23-15)12-4-3-9-22-12/h3-9H,2H2,1H3,(H,16,18,19)
InChIKeyDJZDUCUWDGSZBV-UHFFFAOYSA-N
XLogP2.38
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(dimethylsulfamoyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5083850
4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861371
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3430781
4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854620
2-(benzenesulfonyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7254453
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 4151972
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 7158195
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43978018
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43978019
4-ethylsulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7579515
3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941202
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 7266914

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 7295297) is 4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is CCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is DJZDUCUWDGSZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5S/c1-2-24(20,21)11-7-5-10(6-8-11)13(19)16-15-18-17-14(23-15)12-4-3-9-22-12/h3-9H,2H2,1H3,(H,16,18,19).
What are the key properties of 4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 347.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 7295297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).