N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C24H22FN3O4S — CID 43069083

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CC(c3cccc(F)c3)=NO2)cc1
InChIInChI=1S/C24H22FN3O4S/c1-28(16-17-6-3-2-4-7-17)33(30,31)21-12-10-20(11-13-21)26-24(29)23-15-22(27-32-23)18-8-5-9-19(25)14-18/h2-14,23H,15-16H2,1H3,(H,26,29)
InChIKeyWTQNRSYLZRXAEZ-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.78
Rot. Bonds7

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 43069083) has the molecular formula C24H22FN3O4S and a molecular weight of 467.52 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID43069083
Molecular FormulaC24H22FN3O4S
Molecular Weight467.52 g/mol
Exact Mass467.13
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CC(c3cccc(F)c3)=NO2)cc1
InChIInChI=1S/C24H22FN3O4S/c1-28(16-17-6-3-2-4-7-17)33(30,31)21-12-10-20(11-13-21)26-24(29)23-15-22(27-32-23)18-8-5-9-19(25)14-18/h2-14,23H,15-16H2,1H3,(H,26,29)
InChIKeyWTQNRSYLZRXAEZ-UHFFFAOYSA-N
XLogP3.78
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide 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-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55668860
3-(3-fluorophenyl)-N-[4-(3-methylbutanoylamino)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427997
N-(3-acetamidophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068886
3-(3-fluorophenyl)-N-(2-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068940
3-(3-fluorophenyl)-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071663
N-(3,4-diethoxyphenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46436237
(5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095185
3-(3-fluorophenyl)-N-[4-[3-(methylcarbamoyl)pyrazol-1-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47091988
(5S)-N-(2-tert-butylpyrimidin-5-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95234586
3-(3-fluorophenyl)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51132367
4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 23885342
(5S)-3-(3-fluorophenyl)-N-quinolin-6-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 52531541

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 43069083) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CC(c3cccc(F)c3)=NO2)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WTQNRSYLZRXAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4S/c1-28(16-17-6-3-2-4-7-17)33(30,31)21-12-10-20(11-13-21)26-24(29)23-15-22(27-32-23)18-8-5-9-19(25)14-18/h2-14,23H,15-16H2,1H3,(H,26,29).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 467.52 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43069083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).