4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

C24H23F3N2O4S — CID 25261139

IUPAC4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c(Oc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C24H23F3N2O4S/c1-23(2,3)15-10-11-18(21(30)29-16-7-5-8-17(14-16)34(4,31)32)20(13-15)33-22-19(24(25,26)27)9-6-12-28-22/h5-14H,1-4H3,(H,29,30)
InChIKeySSAUJZXSTZSXFO-UHFFFAOYSA-N
MW492.52 g/mol
LogP5.85
Rot. Bonds5

About 4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (PubChem CID 25261139) has the molecular formula C24H23F3N2O4S and a molecular weight of 492.52 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
PubChem CID25261139
Molecular FormulaC24H23F3N2O4S
Molecular Weight492.52 g/mol
Exact Mass492.13
IUPAC Name4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c(Oc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C24H23F3N2O4S/c1-23(2,3)15-10-11-18(21(30)29-16-7-5-8-17(14-16)34(4,31)32)20(13-15)33-22-19(24(25,26)27)9-6-12-28-22/h5-14H,1-4H3,(H,29,30)
InChIKeySSAUJZXSTZSXFO-UHFFFAOYSA-N
XLogP5.85
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.52
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 56593345
CID 56593345
CID 169124157
CID 169124157
CID 3622154
CID 3622154
CID 168269661
CID 168269661
CID 56593309
CID 56593309
CID 56593323
CID 56593323
CID 56593347
CID 56593347
CID 121363528
CID 121363528
CID 177657939
CID 177657939
CID 149959892
CID 149959892
CID 150197509
CID 150197509
CID 150351341
CID 150351341

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The IUPAC name of 4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (CID 25261139) is 4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for 4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The canonical SMILES for 4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c(Oc2ncccc2C(F)(F)F)c1.
What is the InChIKey of 4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The InChIKey is SSAUJZXSTZSXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4S/c1-23(2,3)15-10-11-18(21(30)29-16-7-5-8-17(14-16)34(4,31)32)20(13-15)33-22-19(24(25,26)27)9-6-12-28-22/h5-14H,1-4H3,(H,29,30).
What are the key properties of 4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide has a molecular weight of 492.52 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 25261139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).