(E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide

C20H23ClN2O3S — CID 60590533

IUPAC(E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-20(2,3)23-27(25,26)18-7-5-4-6-16(18)14-22-19(24)13-10-15-8-11-17(21)12-9-15/h4-13,23H,14H2,1-3H3,(H,22,24)/b13-10+
InChIKeyBJLIRDIJXRXOFO-JLHYYAGUSA-N
MW406.94 g/mol
LogP3.75
Rot. Bonds6

About (E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide

(E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 60590533) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is (E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide
PubChem CID60590533
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name(E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-20(2,3)23-27(25,26)18-7-5-4-6-16(18)14-22-19(24)13-10-15-8-11-17(21)12-9-15/h4-13,23H,14H2,1-3H3,(H,22,24)/b13-10+
InChIKeyBJLIRDIJXRXOFO-JLHYYAGUSA-N
XLogP3.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-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

(E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide
CID 41266696
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
(E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 24614000
(E)-N-[(4-chlorophenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 25296226
(E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 39896084
(E)-3-(4-chlorophenyl)-N-(3,3-dimethyl-2-oxobutyl)prop-2-enamide
CID 95753582
(E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 7758290
(E)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 886894
3-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 102603527
N-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
CID 48563112
(E)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 7927939
3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide
CID 119751225

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide (CID 60590533) is (E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide is CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is BJLIRDIJXRXOFO-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-20(2,3)23-27(25,26)18-7-5-4-6-16(18)14-22-19(24)13-10-15-8-11-17(21)12-9-15/h4-13,23H,14H2,1-3H3,(H,22,24)/b13-10+.
What are the key properties of (E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide?
(E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 406.94 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 60590533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).