ethyl 4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoate

C23H22N2O6S — CID 67549756

IUPACethyl 4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3cccc(OC)c3)c2)cc1
InChIInChI=1S/C23H22N2O6S/c1-3-31-23(27)16-10-12-18(13-11-16)24-22(26)17-6-4-7-19(14-17)25-32(28,29)21-9-5-8-20(15-21)30-2/h4-15,25H,3H2,1-2H3,(H,24,26)
InChIKeyXYTXRHIKYUXOOO-UHFFFAOYSA-N
MW454.50 g/mol
LogP3.92
Rot. Bonds8

About ethyl 4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoate

ethyl 4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoate (PubChem CID 67549756) has the molecular formula C23H22N2O6S and a molecular weight of 454.50 g/mol. Its IUPAC name is ethyl 4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoate
PubChem CID67549756
Molecular FormulaC23H22N2O6S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC Nameethyl 4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3cccc(OC)c3)c2)cc1
InChIInChI=1S/C23H22N2O6S/c1-3-31-23(27)16-10-12-18(13-11-16)24-22(26)17-6-4-7-19(14-17)25-32(28,29)21-9-5-8-20(15-21)30-2/h4-15,25H,3H2,1-2H3,(H,24,26)
InChIKeyXYTXRHIKYUXOOO-UHFFFAOYSA-N
XLogP3.92
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 158643553
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27167566
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
ethyl 4-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 3610783
ethyl 3-[[2-fluoro-5-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 142738796
ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate
CID 1018527
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 27167584

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoate (CID 67549756) is ethyl 4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3cccc(OC)c3)c2)cc1.
What is the InChIKey of ethyl 4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoate?
The InChIKey is XYTXRHIKYUXOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6S/c1-3-31-23(27)16-10-12-18(13-11-16)24-22(26)17-6-4-7-19(14-17)25-32(28,29)21-9-5-8-20(15-21)30-2/h4-15,25H,3H2,1-2H3,(H,24,26).
What are the key properties of ethyl 4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoate?
ethyl 4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoate has a molecular weight of 454.50 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoate is sourced from PubChem (CID 67549756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).