4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C23H25F3N2O4S — CID 71543501

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1noc(C)c1COc1ccc(S(=O)(=O)N(CC(C)C)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H25F3N2O4S/c1-15(2)13-28(19-7-5-6-18(12-19)23(24,25)26)33(29,30)21-10-8-20(9-11-21)31-14-22-16(3)27-32-17(22)4/h5-12,15H,13-14H2,1-4H3
InChIKeyKFWAQCMCBSAMPU-UHFFFAOYSA-N
MW482.52 g/mol
LogP5.74
Rot. Bonds8

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 71543501) has the molecular formula C23H25F3N2O4S and a molecular weight of 482.52 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID71543501
Molecular FormulaC23H25F3N2O4S
Molecular Weight482.52 g/mol
Exact Mass482.15
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1noc(C)c1COc1ccc(S(=O)(=O)N(CC(C)C)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H25F3N2O4S/c1-15(2)13-28(19-7-5-6-18(12-19)23(24,25)26)33(29,30)21-10-8-20(9-11-21)31-14-22-16(3)27-32-17(22)4/h5-12,15H,13-14H2,1-4H3
InChIKeyKFWAQCMCBSAMPU-UHFFFAOYSA-N
XLogP5.74
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.52
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide
CID 71543569
N-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30232596
N-[(2S)-3-methylbutan-2-yl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 100562884
N-(2-methylpropyl)-N-[4-[2,2,2-trifluoro-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzenesulfonamide
CID 89297581
(E)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 39773055
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 89484262
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 30306829
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 18079652
N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 60657484
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 9437481
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 99938163
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55310123

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 71543501) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1noc(C)c1COc1ccc(S(=O)(=O)N(CC(C)C)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is KFWAQCMCBSAMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O4S/c1-15(2)13-28(19-7-5-6-18(12-19)23(24,25)26)33(29,30)21-10-8-20(9-11-21)31-14-22-16(3)27-32-17(22)4/h5-12,15H,13-14H2,1-4H3.
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 482.52 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 71543501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).