4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

C24H29FN4O4S — CID 16917575

IUPAC4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C24H29FN4O4S/c1-3-5-15-29(16-6-4-2)34(31,32)21-13-9-19(10-14-21)23(30)26-24-28-27-22(33-24)17-18-7-11-20(25)12-8-18/h7-14H,3-6,15-17H2,1-2H3,(H,26,28,30)
InChIKeyYZKXEPSQUFUZQI-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.64
Rot. Bonds12

About 4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 16917575) has the molecular formula C24H29FN4O4S and a molecular weight of 488.59 g/mol. Its IUPAC name is 4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID16917575
Molecular FormulaC24H29FN4O4S
Molecular Weight488.59 g/mol
Exact Mass488.19
IUPAC Name4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C24H29FN4O4S/c1-3-5-15-29(16-6-4-2)34(31,32)21-13-9-19(10-14-21)23(30)26-24-28-27-22(33-24)17-18-7-11-20(25)12-8-18/h7-14H,3-6,15-17H2,1-2H3,(H,26,28,30)
InChIKeyYZKXEPSQUFUZQI-UHFFFAOYSA-N
XLogP4.64
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(dibutylsulfamoyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975155
4-[butyl(ethyl)sulfamoyl]-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974882
4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974001
N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 16917609
4-[butyl(methyl)sulfamoyl]-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974066
4-[butyl(ethyl)sulfamoyl]-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 16917738
4-(diethylsulfamoyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974528
4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973211
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide
CID 16917366
N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-(diethylsulfamoyl)benzamide
CID 41179038
N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 43975049
4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4046837

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 16917575) is 4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(F)cc3)o2)cc1.
What is the InChIKey of 4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is YZKXEPSQUFUZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O4S/c1-3-5-15-29(16-6-4-2)34(31,32)21-13-9-19(10-14-21)23(30)26-24-28-27-22(33-24)17-18-7-11-20(25)12-8-18/h7-14H,3-6,15-17H2,1-2H3,(H,26,28,30).
What are the key properties of 4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 488.59 g/mol, XLogP of 4.64, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 16917575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).