N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

C23H22N2O3S — CID 9164162

IUPACN-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O3S/c1-2-18-8-12-21(13-9-18)24-23(26)20-10-14-22(15-11-20)25-29(27,28)17-16-19-6-4-3-5-7-19/h3-17,25H,2H2,1H3,(H,24,26)/b17-16+
InChIKeyXXTFPHJDXTYESM-WUKNDPDISA-N
MW406.51 g/mol
LogP4.91
Rot. Bonds7

About N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (PubChem CID 9164162) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
PubChem CID9164162
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O3S/c1-2-18-8-12-21(13-9-18)24-23(26)20-10-14-22(15-11-20)25-29(27,28)17-16-19-6-4-3-5-7-19/h3-17,25H,2H2,1H3,(H,24,26)/b17-16+
InChIKeyXXTFPHJDXTYESM-WUKNDPDISA-N
XLogP4.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 27256502
ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate
CID 24640952
N-(4-ethoxyphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24638590
N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 33033292
methyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate
CID 55348887
N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9341925
N-(4-ethylphenyl)benzamide
CID 774063
1-phenyl-3-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]thiourea
CID 24644076
N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 6218294
N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 17480120
N-(3-methyl-2-pyridinyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24981657
(E)-2-(4-chlorophenyl)-N-(4-ethylphenyl)ethenesulfonamide
CID 26970345

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The IUPAC name of N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (CID 9164162) is N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The canonical SMILES for N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The InChIKey is XXTFPHJDXTYESM-WUKNDPDISA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-2-18-8-12-21(13-9-18)24-23(26)20-10-14-22(15-11-20)25-29(27,28)17-16-19-6-4-3-5-7-19/h3-17,25H,2H2,1H3,(H,24,26)/b17-16+.
What are the key properties of N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide has a molecular weight of 406.51 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is sourced from PubChem (CID 9164162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).