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

C24H22N2O5S — CID 55348887

IUPACmethyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O5S/c1-31-24(28)21-9-7-19(8-10-21)17-25-23(27)20-11-13-22(14-12-20)26-32(29,30)16-15-18-5-3-2-4-6-18/h2-16,26H,17H2,1H3,(H,25,27)/b16-15+
InChIKeyBCIBSNUDNIEQRX-FOCLMDBBSA-N
MW450.52 g/mol
LogP3.82
Rot. Bonds8

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

methyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate (PubChem CID 55348887) has the molecular formula C24H22N2O5S and a molecular weight of 450.52 g/mol. Its IUPAC name is methyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate
PubChem CID55348887
Molecular FormulaC24H22N2O5S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC Namemethyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O5S/c1-31-24(28)21-9-7-19(8-10-21)17-25-23(27)20-11-13-22(14-12-20)26-32(29,30)16-15-18-5-3-2-4-6-18/h2-16,26H,17H2,1H3,(H,25,27)/b16-15+
InChIKeyBCIBSNUDNIEQRX-FOCLMDBBSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9164162
ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate
CID 24640952
N-methoxy-N-methyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24542624
N-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 32831449
N-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 98862254
N-(3-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 27256502
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 41283239
N-(4-ethoxyphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24638590
N-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide
CID 97428973
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 27813316
N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9341925
N-[2-(2-methylcyclohexyl)oxyethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55724201

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate (CID 55348887) is methyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1.
What is the InChIKey of methyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate?
The InChIKey is BCIBSNUDNIEQRX-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H22N2O5S/c1-31-24(28)21-9-7-19(8-10-21)17-25-23(27)20-11-13-22(14-12-20)26-32(29,30)16-15-18-5-3-2-4-6-18/h2-16,26H,17H2,1H3,(H,25,27)/b16-15+.
What are the key properties of methyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate?
methyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate has a molecular weight of 450.52 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate is sourced from PubChem (CID 55348887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).