3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide

C21H19F3N2O4S — CID 53059766

IUPAC3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccccc3C(F)(F)F)c2)on1
InChIInChI=1S/C21H19F3N2O4S/c1-13-7-8-15(18-11-14(2)26-30-18)12-19(13)31(28,29)10-9-20(27)25-17-6-4-3-5-16(17)21(22,23)24/h3-8,11-12H,9-10H2,1-2H3,(H,25,27)
InChIKeyWQKZTHUHQFDCSE-UHFFFAOYSA-N
MW452.45 g/mol
LogP4.78
Rot. Bonds6

About 3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide

3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 53059766) has the molecular formula C21H19F3N2O4S and a molecular weight of 452.45 g/mol. Its IUPAC name is 3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID53059766
Molecular FormulaC21H19F3N2O4S
Molecular Weight452.45 g/mol
Exact Mass452.10
IUPAC Name3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccccc3C(F)(F)F)c2)on1
InChIInChI=1S/C21H19F3N2O4S/c1-13-7-8-15(18-11-14(2)26-30-18)12-19(13)31(28,29)10-9-20(27)25-17-6-4-3-5-16(17)21(22,23)24/h3-8,11-12H,9-10H2,1-2H3,(H,25,27)
InChIKeyWQKZTHUHQFDCSE-UHFFFAOYSA-N
XLogP4.78
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059823
N-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059815
N-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53005351
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-N-(2-methylphenyl)propanamide
CID 53060095
N-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060143
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide
CID 108787713
ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate
CID 22583319
1-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 119099354
3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109036048
3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113147417
3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109038453

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide (CID 53059766) is 3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide is Cc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccccc3C(F)(F)F)c2)on1.
What is the InChIKey of 3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WQKZTHUHQFDCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O4S/c1-13-7-8-15(18-11-14(2)26-30-18)12-19(13)31(28,29)10-9-20(27)25-17-6-4-3-5-16(17)21(22,23)24/h3-8,11-12H,9-10H2,1-2H3,(H,25,27).
What are the key properties of 3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide?
3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 452.45 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 53059766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).