4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide

C24H21FN4O4S — CID 43971896

IUPAC4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(F)c3)o2)cc1
InChIInChI=1S/C24H21FN4O4S/c1-2-29(16-17-7-4-3-5-8-17)34(31,32)21-13-11-18(12-14-21)22(30)26-24-28-27-23(33-24)19-9-6-10-20(25)15-19/h3-15H,2,16H2,1H3,(H,26,28,30)
InChIKeyUCBBFBPSFZOPRM-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.34
Rot. Bonds8

About 4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43971896) has the molecular formula C24H21FN4O4S and a molecular weight of 480.52 g/mol. Its IUPAC name is 4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43971896
Molecular FormulaC24H21FN4O4S
Molecular Weight480.52 g/mol
Exact Mass480.13
IUPAC Name4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(F)c3)o2)cc1
InChIInChI=1S/C24H21FN4O4S/c1-2-29(16-17-7-4-3-5-8-17)34(31,32)21-13-11-18(12-14-21)22(30)26-24-28-27-23(33-24)19-9-6-10-20(25)15-19/h3-15H,2,16H2,1H3,(H,26,28,30)
InChIKeyUCBBFBPSFZOPRM-UHFFFAOYSA-N
XLogP4.34
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051211
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028147
4-[benzyl(methyl)sulfamoyl]-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972439
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43976196
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-(diethylsulfamoyl)benzamide
CID 40957473
4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854704
4-[benzyl(propan-2-yl)sulfamoyl]-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4228503
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide
CID 43971837
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109060838
4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 25284324
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
CID 42110600
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822896

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 43971896) is 4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(F)c3)o2)cc1.
What is the InChIKey of 4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is UCBBFBPSFZOPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4S/c1-2-29(16-17-7-4-3-5-8-17)34(31,32)21-13-11-18(12-14-21)22(30)26-24-28-27-23(33-24)19-9-6-10-20(25)15-19/h3-15H,2,16H2,1H3,(H,26,28,30).
What are the key properties of 4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 480.52 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43971896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).