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

C24H23F3N2O4S — CID 25261136

IUPAC4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c(Oc2cnccc2C(F)(F)F)c1
InChIInChI=1S/C24H23F3N2O4S/c1-23(2,3)15-8-9-18(22(30)29-16-6-5-7-17(13-16)34(4,31)32)20(12-15)33-21-14-28-11-10-19(21)24(25,26)27/h5-14H,1-4H3,(H,29,30)
InChIKeyPJZCNKKLLDPTHT-UHFFFAOYSA-N
MW492.52 g/mol
LogP5.85
Rot. Bonds5

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

4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]oxy]benzamide (PubChem CID 25261136) 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-[[4-(trifluoromethyl)-3-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
PubChem CID25261136
Molecular FormulaC24H23F3N2O4S
Molecular Weight492.52 g/mol
Exact Mass492.13
IUPAC Name4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c(Oc2cnccc2C(F)(F)F)c1
InChIInChI=1S/C24H23F3N2O4S/c1-23(2,3)15-8-9-18(22(30)29-16-6-5-7-17(13-16)34(4,31)32)20(12-15)33-21-14-28-11-10-19(21)24(25,26)27/h5-14H,1-4H3,(H,29,30)
InChIKeyPJZCNKKLLDPTHT-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The IUPAC name of 4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]oxy]benzamide (CID 25261136) is 4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]oxy]benzamide.
What is the SMILES notation for 4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The canonical SMILES for 4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]oxy]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c(Oc2cnccc2C(F)(F)F)c1.
What is the InChIKey of 4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The InChIKey is PJZCNKKLLDPTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4S/c1-23(2,3)15-8-9-18(22(30)29-16-6-5-7-17(13-16)34(4,31)32)20(12-15)33-21-14-28-11-10-19(21)24(25,26)27/h5-14H,1-4H3,(H,29,30).
What are the key properties of 4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[[4-(trifluoromethyl)-3-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-[[4-(trifluoromethyl)-3-pyridinyl]oxy]benzamide is sourced from PubChem (CID 25261136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).