N-[(E)-2-(4-acetylphenyl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide

C24H23NO3S — CID 15471006

IUPACN-[(E)-2-(4-acetylphenyl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(/C=C/N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23NO3S/c1-19-8-14-24(15-9-19)29(27,28)25(18-22-6-4-3-5-7-22)17-16-21-10-12-23(13-11-21)20(2)26/h3-17H,18H2,1-2H3/b17-16+
InChIKeyUDMTZNNQPVYEMC-WUKNDPDISA-N
MW405.52 g/mol
LogP5.06
Rot. Bonds7

About N-[(E)-2-(4-acetylphenyl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide

N-[(E)-2-(4-acetylphenyl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide (PubChem CID 15471006) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[(E)-2-(4-acetylphenyl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-2-(4-acetylphenyl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide
PubChem CID15471006
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC NameN-[(E)-2-(4-acetylphenyl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(/C=C/N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23NO3S/c1-19-8-14-24(15-9-19)29(27,28)25(18-22-6-4-3-5-7-22)17-16-21-10-12-23(13-11-21)20(2)26/h3-17H,18H2,1-2H3/b17-16+
InChIKeyUDMTZNNQPVYEMC-WUKNDPDISA-N
XLogP5.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2904040
3-methyl-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431449
4-methyl-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431452
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-methyl-benzamide
CID 130431480
2-methyl-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431519
1-[2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 11639263
N-benzyl-N-(phenylsulfonyl)benzamide
CID 10893520
N-(4-sulfamoylbenzyl)biphenyl-4-carboxamide
CID 1150885
4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 4850326
4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 7528622
4-(benzenesulfonamidomethyl)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 15990883
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]-N-propylbenzamide
CID 16294428

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-acetylphenyl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-2-(4-acetylphenyl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide (CID 15471006) is N-[(E)-2-(4-acetylphenyl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-2-(4-acetylphenyl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-2-(4-acetylphenyl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide is CC(=O)c1ccc(/C=C/N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(E)-2-(4-acetylphenyl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide?
The InChIKey is UDMTZNNQPVYEMC-WUKNDPDISA-N. The full InChI is InChI=1S/C24H23NO3S/c1-19-8-14-24(15-9-19)29(27,28)25(18-22-6-4-3-5-7-22)17-16-21-10-12-23(13-11-21)20(2)26/h3-17H,18H2,1-2H3/b17-16+.
What are the key properties of N-[(E)-2-(4-acetylphenyl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide?
N-[(E)-2-(4-acetylphenyl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(4-acetylphenyl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 15471006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).