2-(4-methoxy-2-methylphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide

C22H19F3N2O5S — CID 90466323

IUPAC2-(4-methoxy-2-methylphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(Oc2cc(C(F)(F)F)ccc2C(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)c1
InChIInChI=1S/C22H19F3N2O5S/c1-13-10-16(31-2)7-9-19(13)32-20-11-14(22(23,24)25)6-8-18(20)21(28)27-15-4-3-5-17(12-15)33(26,29)30/h3-12H,1-2H3,(H,27,28)(H2,26,29,30)
InChIKeyMJQHVTGJQBZTOW-UHFFFAOYSA-N
MW480.46 g/mol
LogP4.71
Rot. Bonds6

About 2-(4-methoxy-2-methylphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide

2-(4-methoxy-2-methylphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide (PubChem CID 90466323) has the molecular formula C22H19F3N2O5S and a molecular weight of 480.46 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-methoxy-2-methylphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
PubChem CID90466323
Molecular FormulaC22H19F3N2O5S
Molecular Weight480.46 g/mol
Exact Mass480.10
IUPAC Name2-(4-methoxy-2-methylphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(Oc2cc(C(F)(F)F)ccc2C(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)c1
InChIInChI=1S/C22H19F3N2O5S/c1-13-10-16(31-2)7-9-19(13)32-20-11-14(22(23,24)25)6-8-18(20)21(28)27-15-4-3-5-17(12-15)33(26,29)30/h3-12H,1-2H3,(H,27,28)(H2,26,29,30)
InChIKeyMJQHVTGJQBZTOW-UHFFFAOYSA-N
XLogP4.71
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxy-2-methylphenoxy)-N-(3-sulfamoylphenyl)-4-(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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-methoxy-2-methylphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide (CID 90466323) is 2-(4-methoxy-2-methylphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-methoxy-2-methylphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-methoxy-2-methylphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide is COc1ccc(Oc2cc(C(F)(F)F)ccc2C(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)c1.
What is the InChIKey of 2-(4-methoxy-2-methylphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is MJQHVTGJQBZTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O5S/c1-13-10-16(31-2)7-9-19(13)32-20-11-14(22(23,24)25)6-8-18(20)21(28)27-15-4-3-5-17(12-15)33(26,29)30/h3-12H,1-2H3,(H,27,28)(H2,26,29,30).
What are the key properties of 2-(4-methoxy-2-methylphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
2-(4-methoxy-2-methylphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 480.46 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90466323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).