3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide

C22H23Cl2N3O4S — CID 46586101

IUPAC3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)ccc1C
InChIInChI=1S/C22H23Cl2N3O4S/c1-5-27(6-2)32(29,30)18-12-15(11-10-13(18)3)25-22(28)19-14(4)31-26-21(19)20-16(23)8-7-9-17(20)24/h7-12H,5-6H2,1-4H3,(H,25,28)
InChIKeyRGOOTGWEJXHMEW-UHFFFAOYSA-N
MW496.42 g/mol
LogP5.55
Rot. Bonds7

About 3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46586101) has the molecular formula C22H23Cl2N3O4S and a molecular weight of 496.42 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID46586101
Molecular FormulaC22H23Cl2N3O4S
Molecular Weight496.42 g/mol
Exact Mass495.08
IUPAC Name3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)ccc1C
InChIInChI=1S/C22H23Cl2N3O4S/c1-5-27(6-2)32(29,30)18-12-15(11-10-13(18)3)25-22(28)19-14(4)31-26-21(19)20-16(23)8-7-9-17(20)24/h7-12H,5-6H2,1-4H3,(H,25,28)
InChIKeyRGOOTGWEJXHMEW-UHFFFAOYSA-N
XLogP5.55
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.42
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-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-(2,6-dichlorophenyl)-N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1008270
3-(2-chloro-6-fluorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 2811851
N-(4-acetylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118276
N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55572102
3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 177376733
1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 26521113
N-[4-(tert-butylsulfamoyl)phenyl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 3384890
3-(2-chloro-6-fluorophenyl)-N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 31365657
3-(2,6-dichlorophenyl)-5-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1,2-oxazole-4-carboxamide
CID 31825313
3-(2-chloro-6-fluorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 38809408
N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 3319119
3-(2,6-dichlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide
CID 39644444

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 46586101) is 3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)ccc1C.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is RGOOTGWEJXHMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O4S/c1-5-27(6-2)32(29,30)18-12-15(11-10-13(18)3)25-22(28)19-14(4)31-26-21(19)20-16(23)8-7-9-17(20)24/h7-12H,5-6H2,1-4H3,(H,25,28).
What are the key properties of 3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 496.42 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46586101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).