3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide

C23H25ClFN3O4S — CID 112765432

IUPAC3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1
InChIInChI=1S/C23H25ClFN3O4S/c1-5-28(6-2)33(30,31)17-12-10-16(11-13-17)14(3)26-23(29)20-15(4)32-27-22(20)21-18(24)8-7-9-19(21)25/h7-14H,5-6H2,1-4H3,(H,26,29)
InChIKeySHHODJFMKWBQLM-UHFFFAOYSA-N
MW493.99 g/mol
LogP4.96
Rot. Bonds8

About 3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 112765432) has the molecular formula C23H25ClFN3O4S and a molecular weight of 493.99 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID112765432
Molecular FormulaC23H25ClFN3O4S
Molecular Weight493.99 g/mol
Exact Mass493.12
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1
InChIInChI=1S/C23H25ClFN3O4S/c1-5-28(6-2)33(30,31)17-12-10-16(11-13-17)14(3)26-23(29)20-15(4)32-27-22(20)21-18(24)8-7-9-19(21)25/h7-14H,5-6H2,1-4H3,(H,26,29)
InChIKeySHHODJFMKWBQLM-UHFFFAOYSA-N
XLogP4.96
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.99
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-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

3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 51725987
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
CID 51151532
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-1,2-oxazole-4-carboxamide
CID 9227682
2,3-dichloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]benzamide
CID 112765419
N-[(2S)-1-aminopropan-2-yl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 120506272
N-[(2R)-butan-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 714929
1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 55473706
3-(2,6-dichlorophenyl)-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide
CID 2886297
3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
CID 51279290
3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78855421
3-(2-chloro-6-fluorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 2811851
3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 46586101

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 112765432) is 3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is SHHODJFMKWBQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O4S/c1-5-28(6-2)33(30,31)17-12-10-16(11-13-17)14(3)26-23(29)20-15(4)32-27-22(20)21-18(24)8-7-9-19(21)25/h7-14H,5-6H2,1-4H3,(H,26,29).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 493.99 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 112765432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).