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

C23H19FN4O4S — CID 121042003

IUPACN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)o2)c1
InChIInChI=1S/C23H19FN4O4S/c1-14-6-7-15(2)20(12-14)22-26-27-23(32-22)25-21(29)16-4-3-5-18(13-16)28-33(30,31)19-10-8-17(24)9-11-19/h3-13,28H,1-2H3,(H,25,27,29)
InChIKeyBMLGYKYPUJAJEL-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.55
Rot. Bonds6

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

N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 121042003) has the molecular formula C23H19FN4O4S and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID121042003
Molecular FormulaC23H19FN4O4S
Molecular Weight466.49 g/mol
Exact Mass466.11
IUPAC NameN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)o2)c1
InChIInChI=1S/C23H19FN4O4S/c1-14-6-7-15(2)20(12-14)22-26-27-23(32-22)25-21(29)16-4-3-5-18(13-16)28-33(30,31)19-10-8-17(24)9-11-19/h3-13,28H,1-2H3,(H,25,27,29)
InChIKeyBMLGYKYPUJAJEL-UHFFFAOYSA-N
XLogP4.55
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]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

N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 7533241
3-[(4-fluorophenyl)sulfonylamino]-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 121041911
3-[(4-methylphenyl)sulfonylamino]-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 121042521
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121044015
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide
CID 16821846
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043315
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 9416278
4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18584070
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 7533252
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide
CID 78794508
4-[(4-methylphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41004356
3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041538

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide (CID 121042003) is N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide is Cc1ccc(C)c(-c2nnc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)o2)c1.
What is the InChIKey of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is BMLGYKYPUJAJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O4S/c1-14-6-7-15(2)20(12-14)22-26-27-23(32-22)25-21(29)16-4-3-5-18(13-16)28-33(30,31)19-10-8-17(24)9-11-19/h3-13,28H,1-2H3,(H,25,27,29).
What are the key properties of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide?
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 466.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 121042003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).