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

C21H21F2N3O4S — CID 16591736

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C21H21F2N3O4S/c1-13-4-6-15(31(28,29)26(2)3)11-18(13)25-20(27)8-9-21-24-12-19(30-21)16-7-5-14(22)10-17(16)23/h4-7,10-12H,8-9H2,1-3H3,(H,25,27)
InChIKeyIUPZIWCIDULOEK-UHFFFAOYSA-N
MW449.48 g/mol
LogP3.75
Rot. Bonds7

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

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide (PubChem CID 16591736) has the molecular formula C21H21F2N3O4S and a molecular weight of 449.48 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
PubChem CID16591736
Molecular FormulaC21H21F2N3O4S
Molecular Weight449.48 g/mol
Exact Mass449.12
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C21H21F2N3O4S/c1-13-4-6-15(31(28,29)26(2)3)11-18(13)25-20(27)8-9-21-24-12-19(30-21)16-7-5-14(22)10-17(16)23/h4-7,10-12H,8-9H2,1-3H3,(H,25,27)
InChIKeyIUPZIWCIDULOEK-UHFFFAOYSA-N
XLogP3.75
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
CID 55894656
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41364701
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dimethylphenyl)propanamide
CID 17437155
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 29495929
N-(5-fluoro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356754
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 16599585
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide
CID 41328384
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 42209194
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593746
N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503
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-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119501785

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide (CID 16591736) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The InChIKey is IUPZIWCIDULOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O4S/c1-13-4-6-15(31(28,29)26(2)3)11-18(13)25-20(27)8-9-21-24-12-19(30-21)16-7-5-14(22)10-17(16)23/h4-7,10-12H,8-9H2,1-3H3,(H,25,27).
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide has a molecular weight of 449.48 g/mol, XLogP of 3.75, 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-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide is sourced from PubChem (CID 16591736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).