3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide

C20H19Cl2N3O4S — CID 16593632

IUPAC3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C20H19Cl2N3O4S/c1-25(2)30(27,28)15-6-4-14(5-7-15)24-19(26)9-10-20-23-12-18(29-20)16-8-3-13(21)11-17(16)22/h3-8,11-12H,9-10H2,1-2H3,(H,24,26)
InChIKeyQMHRDPBEPPGUDB-UHFFFAOYSA-N
MW468.36 g/mol
LogP4.47
Rot. Bonds7

About 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 16593632) has the molecular formula C20H19Cl2N3O4S and a molecular weight of 468.36 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID16593632
Molecular FormulaC20H19Cl2N3O4S
Molecular Weight468.36 g/mol
Exact Mass467.05
IUPAC Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C20H19Cl2N3O4S/c1-25(2)30(27,28)15-6-4-14(5-7-15)24-19(26)9-10-20-23-12-18(29-20)16-8-3-13(21)11-17(16)22/h3-8,11-12H,9-10H2,1-2H3,(H,24,26)
InChIKeyQMHRDPBEPPGUDB-UHFFFAOYSA-N
XLogP4.47
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590165
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-methoxypropanamide
CID 33103637
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide
CID 41328384
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
CID 51312308
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16591104
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 16591736
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 112833342
2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid
CID 119136390
N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42931318
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
CID 55894656

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide (CID 16593632) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide is CN(C)S(=O)(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is QMHRDPBEPPGUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O4S/c1-25(2)30(27,28)15-6-4-14(5-7-15)24-19(26)9-10-20-23-12-18(29-20)16-8-3-13(21)11-17(16)22/h3-8,11-12H,9-10H2,1-2H3,(H,24,26).
What are the key properties of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 468.36 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 16593632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).