3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide

C21H23ClN4O4S — CID 26723837

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1C
InChIInChI=1S/C21H23ClN4O4S/c1-13-11-17(31(28,29)26(3)4)12-18(14(13)2)23-19(27)9-10-20-24-21(25-30-20)15-5-7-16(22)8-6-15/h5-8,11-12H,9-10H2,1-4H3,(H,23,27)
InChIKeyGDRYIOPEOFFOSD-UHFFFAOYSA-N
MW462.96 g/mol
LogP3.83
Rot. Bonds7

About 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide (PubChem CID 26723837) has the molecular formula C21H23ClN4O4S and a molecular weight of 462.96 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide
PubChem CID26723837
Molecular FormulaC21H23ClN4O4S
Molecular Weight462.96 g/mol
Exact Mass462.11
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1C
InChIInChI=1S/C21H23ClN4O4S/c1-13-11-17(31(28,29)26(3)4)12-18(14(13)2)23-19(27)9-10-20-24-21(25-30-20)15-5-7-16(22)8-6-15/h5-8,11-12H,9-10H2,1-4H3,(H,23,27)
InChIKeyGDRYIOPEOFFOSD-UHFFFAOYSA-N
XLogP3.83
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26692915
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 42209194
N-(4-bromo-2-chlorophenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26705874
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4,5-dimethoxy-N,N-dimethylbenzamide
CID 32513217
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41364701
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 51098095
4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide
CID 55807409
N-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9302637
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 55615243
2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 34079032
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide
CID 55415197
N-(2,5-dichlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26687929

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide (CID 26723837) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1C.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide?
The InChIKey is GDRYIOPEOFFOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4S/c1-13-11-17(31(28,29)26(3)4)12-18(14(13)2)23-19(27)9-10-20-24-21(25-30-20)15-5-7-16(22)8-6-15/h5-8,11-12H,9-10H2,1-4H3,(H,23,27).
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide has a molecular weight of 462.96 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide is sourced from PubChem (CID 26723837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).