4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]benzamide

C31H26F3N3O4S — CID 22596400

IUPAC4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2cccc(C#N)c2)cc1
InChIInChI=1S/C31H26F3N3O4S/c1-30(2,3)37-42(39,40)28-10-5-4-9-25(28)21-11-13-22(14-12-21)29(38)36-26-18-23(31(32,33)34)15-16-27(26)41-24-8-6-7-20(17-24)19-35/h4-18,37H,1-3H3,(H,36,38)
InChIKeyBXVVPEKWCWWQTI-UHFFFAOYSA-N
MW593.63 g/mol
LogP7.37
Rot. Bonds7

About 4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]benzamide

4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 22596400) has the molecular formula C31H26F3N3O4S and a molecular weight of 593.63 g/mol. Its IUPAC name is 4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID22596400
Molecular FormulaC31H26F3N3O4S
Molecular Weight593.63 g/mol
Exact Mass593.16
IUPAC Name4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2cccc(C#N)c2)cc1
InChIInChI=1S/C31H26F3N3O4S/c1-30(2,3)37-42(39,40)28-10-5-4-9-25(28)21-11-13-22(14-12-21)29(38)36-26-18-23(31(32,33)34)15-16-27(26)41-24-8-6-7-20(17-24)19-35/h4-18,37H,1-3H3,(H,36,38)
InChIKeyBXVVPEKWCWWQTI-UHFFFAOYSA-N
XLogP7.37
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.63
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]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

N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 2797721
methyl 3-[[4-[4-(butylsulfamoyl)phenyl]benzoyl]amino]-4-(3-cyanophenoxy)benzoate
CID 140579118
3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 38562779
3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide
CID 55981707
(E)-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-3-(3-cyanophenyl)-2-methylprop-2-enamide
CID 22458313
N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide
CID 7918318
N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-3-(3-cyanophenyl)-2-pyridin-3-ylprop-2-enamide
CID 54416844
N-[2-(isoquinolin-1-ylamino)oxy-5-(trifluoromethyl)phenyl]-4-(2-sulfamoylphenyl)benzamide
CID 22596390
2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 112523297
[2-(3-cyanophenoxy)-4-(trifluoromethyl)phenyl]methyl methanesulfonate
CID 86620100
[2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-cyanobenzoate
CID 29338711
3-[2-propoxy-4-(trifluoromethyl)phenoxy]benzonitrile
CID 175763417

Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]benzamide (CID 22596400) is 4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]benzamide is CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2cccc(C#N)c2)cc1.
What is the InChIKey of 4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is BXVVPEKWCWWQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F3N3O4S/c1-30(2,3)37-42(39,40)28-10-5-4-9-25(28)21-11-13-22(14-12-21)29(38)36-26-18-23(31(32,33)34)15-16-27(26)41-24-8-6-7-20(17-24)19-35/h4-18,37H,1-3H3,(H,36,38).
What are the key properties of 4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]benzamide?
4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 593.63 g/mol, XLogP of 7.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 22596400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).