(Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide

C20H21F3N2O3S — CID 56507765

IUPAC(Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)/C=C(/c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H21F3N2O3S/c1-19(2,3)25-29(27,28)17-12-8-7-11-16(17)24-18(26)13-15(20(21,22)23)14-9-5-4-6-10-14/h4-13,25H,1-3H3,(H,24,26)/b15-13-
InChIKeyMFXNZUCFRMLCSC-SQFISAMPSA-N
MW426.46 g/mol
LogP4.35
Rot. Bonds5

About (Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide

(Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide (PubChem CID 56507765) has the molecular formula C20H21F3N2O3S and a molecular weight of 426.46 g/mol. Its IUPAC name is (Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide
PubChem CID56507765
Molecular FormulaC20H21F3N2O3S
Molecular Weight426.46 g/mol
Exact Mass426.12
IUPAC Name(Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)/C=C(/c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H21F3N2O3S/c1-19(2,3)25-29(27,28)17-12-8-7-11-16(17)24-18(26)13-15(20(21,22)23)14-9-5-4-6-10-14/h4-13,25H,1-3H3,(H,24,26)/b15-13-
InChIKeyMFXNZUCFRMLCSC-SQFISAMPSA-N
XLogP4.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide
CID 56506611
N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide
CID 168521035
N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide
CID 71874763
trans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023057
N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide
CID 58715998
N-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide
CID 86872196
(Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide
CID 134048067
(E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide
CID 6523072
2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide
CID 60707701
3-(3-carbamimidoylphenyl)-4,4,4-trifluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide
CID 54421193
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 79789955
(Z)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4,4,4-trifluoro-3-phenylbut-2-enamide
CID 56570299

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide?
The IUPAC name of (Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide (CID 56507765) is (Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide.
What is the SMILES notation for (Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide?
The canonical SMILES for (Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide is CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)/C=C(/c1ccccc1)C(F)(F)F.
What is the InChIKey of (Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide?
The InChIKey is MFXNZUCFRMLCSC-SQFISAMPSA-N. The full InChI is InChI=1S/C20H21F3N2O3S/c1-19(2,3)25-29(27,28)17-12-8-7-11-16(17)24-18(26)13-15(20(21,22)23)14-9-5-4-6-10-14/h4-13,25H,1-3H3,(H,24,26)/b15-13-.
What are the key properties of (Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide?
(Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide has a molecular weight of 426.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide is sourced from PubChem (CID 56507765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).