2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide

C23H21F3N2O5S — CID 90466173

IUPAC2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESCC(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C23H21F3N2O5S/c1-14(2)32-17-7-9-18(10-8-17)33-21-11-6-15(23(24,25)26)12-20(21)22(29)28-16-4-3-5-19(13-16)34(27,30)31/h3-14H,1-2H3,(H,28,29)(H2,27,30,31)
InChIKeyLELVNPPHAMZCJG-UHFFFAOYSA-N
MW494.49 g/mol
LogP5.18
Rot. Bonds7

About 2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide

2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 90466173) has the molecular formula C23H21F3N2O5S and a molecular weight of 494.49 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
PubChem CID90466173
Molecular FormulaC23H21F3N2O5S
Molecular Weight494.49 g/mol
Exact Mass494.11
IUPAC Name2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESCC(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C23H21F3N2O5S/c1-14(2)32-17-7-9-18(10-8-17)33-21-11-6-15(23(24,25)26)12-20(21)22(29)28-16-4-3-5-19(13-16)34(27,30)31/h3-14H,1-2H3,(H,28,29)(H2,27,30,31)
InChIKeyLELVNPPHAMZCJG-UHFFFAOYSA-N
XLogP5.18
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.49
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

ML290
CID 56593349
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
[2-[[4-[(4-Sulfamoylphenyl)methylselanyl]phenyl]carbamoyl]phenyl] acetate
CID 145956803
2-(2,2,2-Trifluoroethoxy)-N-(2-((3-((trifluoromethyl)sulfonyl)phenyl)carbamoyl)phenyl)benzamide
CID 56593305
2-Methoxy-N-(2-((3-((trifluoromethyl)sulfonyl)phenyl)carbamoyl)phenyl)benzamide
CID 56593314
2-Propoxy-N-(2-((3-((trifluoromethyl)sulfonyl)phenyl)carbamoyl)phenyl)benzamide
CID 56593316
2-Butoxy-N-(2-((3-((trifluoromethyl)sulfonyl)phenyl)carbamoyl)phenyl)benzamide
CID 56593322
2-Ehoxy-N-(2-((3-((trifluoromethyl)sulfonyl)phenyl)carbamoyl)phenyl)benzamide
CID 56593330
2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide
CID 90467358
2-ethoxy-N-[4-(ethylsulfamoyl)phenyl]benzamide
CID 2230309
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-methoxybenzamide
CID 4794027
2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4881669

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (CID 90466173) is 2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is CC(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is LELVNPPHAMZCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O5S/c1-14(2)32-17-7-9-18(10-8-17)33-21-11-6-15(23(24,25)26)12-20(21)22(29)28-16-4-3-5-19(13-16)34(27,30)31/h3-14H,1-2H3,(H,28,29)(H2,27,30,31).
What are the key properties of 2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 494.49 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 90466173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).