4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide

C20H20F3N3O4S — CID 46487287

IUPAC4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1
InChIInChI=1S/C20H20F3N3O4S/c1-19(2,3)26-31(28,29)16-7-4-13(5-8-16)18(27)25-15-6-9-17(14(10-15)11-24)30-12-20(21,22)23/h4-10,26H,12H2,1-3H3,(H,25,27)
InChIKeyILLBTXSZGLFWNA-UHFFFAOYSA-N
MW455.46 g/mol
LogP3.83
Rot. Bonds6

About 4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide

4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide (PubChem CID 46487287) has the molecular formula C20H20F3N3O4S and a molecular weight of 455.46 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide
PubChem CID46487287
Molecular FormulaC20H20F3N3O4S
Molecular Weight455.46 g/mol
Exact Mass455.11
IUPAC Name4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1
InChIInChI=1S/C20H20F3N3O4S/c1-19(2,3)26-31(28,29)16-7-4-13(5-8-16)18(27)25-15-6-9-17(14(10-15)11-24)30-12-20(21,22)23/h4-10,26H,12H2,1-3H3,(H,25,27)
InChIKeyILLBTXSZGLFWNA-UHFFFAOYSA-N
XLogP3.83
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide with MolForge

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Related Compounds

N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide
CID 55710580
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 55710835
1-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-3-[(2R)-2-hydroxy-2-methylbutyl]urea
CID 95168025
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide
CID 55743956
N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46698790
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 55710758
4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259
(E)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 98797706
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide
CID 55711742
N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide
CID 46603735
N-[4-(tert-butylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 1306926
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015275

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide (CID 46487287) is 4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The InChIKey is ILLBTXSZGLFWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O4S/c1-19(2,3)26-31(28,29)16-7-4-13(5-8-16)18(27)25-15-6-9-17(14(10-15)11-24)30-12-20(21,22)23/h4-10,26H,12H2,1-3H3,(H,25,27).
What are the key properties of 4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide has a molecular weight of 455.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 46487287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).