3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide

C22H24ClN3O4S — CID 41328384

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1C
InChIInChI=1S/C22H24ClN3O4S/c1-14-11-16(31(28,29)26(3)4)12-19(15(14)2)25-21(27)9-10-22-24-13-20(30-22)17-7-5-6-8-18(17)23/h5-8,11-13H,9-10H2,1-4H3,(H,25,27)
InChIKeyXFPXUMBDBUQFRD-UHFFFAOYSA-N
MW461.97 g/mol
LogP4.43
Rot. Bonds7

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide (PubChem CID 41328384) has the molecular formula C22H24ClN3O4S and a molecular weight of 461.97 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide
PubChem CID41328384
Molecular FormulaC22H24ClN3O4S
Molecular Weight461.97 g/mol
Exact Mass461.12
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1C
InChIInChI=1S/C22H24ClN3O4S/c1-14-11-16(31(28,29)26(3)4)12-19(15(14)2)25-21(27)9-10-22-24-13-20(30-22)17-7-5-6-8-18(17)23/h5-8,11-13H,9-10H2,1-4H3,(H,25,27)
InChIKeyXFPXUMBDBUQFRD-UHFFFAOYSA-N
XLogP4.43
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.97
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 42209194
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41364701
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 16600031
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
CID 26081829
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 16593632
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 16591736
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide
CID 26723837
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
2-chloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 16564311
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 34689755
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24602003

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide (CID 41328384) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1C.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide?
The InChIKey is XFPXUMBDBUQFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4S/c1-14-11-16(31(28,29)26(3)4)12-19(15(14)2)25-21(27)9-10-22-24-13-20(30-22)17-7-5-6-8-18(17)23/h5-8,11-13H,9-10H2,1-4H3,(H,25,27).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide has a molecular weight of 461.97 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide is sourced from PubChem (CID 41328384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).