(E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide

C25H26N2O3S — CID 6523072

IUPAC(E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O3S/c1-25(2,3)27-31(29,30)22-16-14-21(15-17-22)26-24(28)23(20-12-8-5-9-13-20)18-19-10-6-4-7-11-19/h4-18,27H,1-3H3,(H,26,28)/b23-18+
InChIKeyHFKDCJVSXDVWGG-PTGBLXJZSA-N
MW434.56 g/mol
LogP4.94
Rot. Bonds6

About (E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide

(E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide (PubChem CID 6523072) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is (E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide
PubChem CID6523072
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name(E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O3S/c1-25(2,3)27-31(29,30)22-16-14-21(15-17-22)26-24(28)23(20-12-8-5-9-13-20)18-19-10-6-4-7-11-19/h4-18,27H,1-3H3,(H,26,28)/b23-18+
InChIKeyHFKDCJVSXDVWGG-PTGBLXJZSA-N
XLogP4.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide 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

2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 2937591
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide
CID 3252740
N-[4-(tert-butylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 1295481
(E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 126180329
N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylbutanamide
CID 1293342
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549
(E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide
CID 28589712
(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 38018309
N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide
CID 1213253
(E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 43881759
(Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 28589955

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide (CID 6523072) is (E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide?
The InChIKey is HFKDCJVSXDVWGG-PTGBLXJZSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-25(2,3)27-31(29,30)22-16-14-21(15-17-22)26-24(28)23(20-12-8-5-9-13-20)18-19-10-6-4-7-11-19/h4-18,27H,1-3H3,(H,26,28)/b23-18+.
What are the key properties of (E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide?
(E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide has a molecular weight of 434.56 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 6523072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).