N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide

C26H26N4O4S — CID 16917746

IUPACN-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
InChIInChI=1S/C26H26N4O4S/c1-4-30(22-8-6-5-7-9-22)35(32,33)23-14-12-20(13-15-23)25(31)27-26-29-28-24(34-26)17-21-11-10-18(2)16-19(21)3/h5-16H,4,17H2,1-3H3,(H,27,29,31)
InChIKeyBCYWSRMULXMINU-UHFFFAOYSA-N
MW490.59 g/mol
LogP4.74
Rot. Bonds8

About N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide

N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 16917746) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID16917746
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC NameN-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
InChIInChI=1S/C26H26N4O4S/c1-4-30(22-8-6-5-7-9-22)35(32,33)23-14-12-20(13-15-23)25(31)27-26-29-28-24(34-26)17-21-11-10-18(2)16-19(21)3/h5-16H,4,17H2,1-3H3,(H,27,29,31)
InChIKeyBCYWSRMULXMINU-UHFFFAOYSA-N
XLogP4.74
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[butyl(ethyl)sulfamoyl]-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 16917738
4-[ethyl(phenyl)sulfamoyl]-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2155656
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 16917667
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43973238
ethyl 4-[4-[[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 16917725
4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18576949
4-[benzyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974342
4-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60518994
4-[ethyl(phenyl)sulfamoyl]-N-pyridin-4-ylbenzamide
CID 24980451
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide
CID 16917366
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 16917684
N-(4,5-dimethoxy-2-methylphenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17429226

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide (CID 16917746) is N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1.
What is the InChIKey of N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is BCYWSRMULXMINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-4-30(22-8-6-5-7-9-22)35(32,33)23-14-12-20(13-15-23)25(31)27-26-29-28-24(34-26)17-21-11-10-18(2)16-19(21)3/h5-16H,4,17H2,1-3H3,(H,27,29,31).
What are the key properties of N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide?
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 490.59 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 16917746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).