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

C18H17N3O4S — CID 16854620

IUPAC4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C18H17N3O4S/c1-3-26(23,24)15-10-8-13(9-11-15)16(22)19-18-21-20-17(25-18)14-6-4-12(2)5-7-14/h4-11H,3H2,1-2H3,(H,19,21,22)
InChIKeyUCHGMLQSNMXAKX-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.09
Rot. Bonds5

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

4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 16854620) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID16854620
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C18H17N3O4S/c1-3-26(23,24)15-10-8-13(9-11-15)16(22)19-18-21-20-17(25-18)14-6-4-12(2)5-7-14/h4-11H,3H2,1-2H3,(H,19,21,22)
InChIKeyUCHGMLQSNMXAKX-UHFFFAOYSA-N
XLogP3.09
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 43978010
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43978155
4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43978034
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 4791318
4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854547
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854590
4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861371
4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7295297
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 43978016

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 16854620) is 4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)o2)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is UCHGMLQSNMXAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-3-26(23,24)15-10-8-13(9-11-15)16(22)19-18-21-20-17(25-18)14-6-4-12(2)5-7-14/h4-11H,3H2,1-2H3,(H,19,21,22).
What are the key properties of 4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 371.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 16854620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).