ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate

C24H22N2O5S — CID 24640952

IUPACethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O5S/c1-2-31-24(28)20-10-12-21(13-11-20)25-23(27)19-8-14-22(15-9-19)26-32(29,30)17-16-18-6-4-3-5-7-18/h3-17,26H,2H2,1H3,(H,25,27)/b17-16+
InChIKeyAHNDLSXVLKTYGJ-WUKNDPDISA-N
MW450.52 g/mol
LogP4.53
Rot. Bonds8

About ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate

ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate (PubChem CID 24640952) has the molecular formula C24H22N2O5S and a molecular weight of 450.52 g/mol. Its IUPAC name is ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate
PubChem CID24640952
Molecular FormulaC24H22N2O5S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC Nameethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O5S/c1-2-31-24(28)20-10-12-21(13-11-20)25-23(27)19-8-14-22(15-9-19)26-32(29,30)17-16-18-6-4-3-5-7-18/h3-17,26H,2H2,1H3,(H,25,27)/b17-16+
InChIKeyAHNDLSXVLKTYGJ-WUKNDPDISA-N
XLogP4.53
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate with MolForge

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Related Compounds

N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9164162
N-(4-ethoxyphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24638590
N-(3-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 27256502
N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 33033292
N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9341925
methyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate
CID 55348887
N-(3-methyl-2-pyridinyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24981657
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273
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
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
CID 6216805
N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 17480120

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate (CID 24640952) is ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1.
What is the InChIKey of ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate?
The InChIKey is AHNDLSXVLKTYGJ-WUKNDPDISA-N. The full InChI is InChI=1S/C24H22N2O5S/c1-2-31-24(28)20-10-12-21(13-11-20)25-23(27)19-8-14-22(15-9-19)26-32(29,30)17-16-18-6-4-3-5-7-18/h3-17,26H,2H2,1H3,(H,25,27)/b17-16+.
What are the key properties of ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate?
ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate has a molecular weight of 450.52 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate is sourced from PubChem (CID 24640952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).