ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate

C23H22N2O5S — CID 1303909

IUPACethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O5S/c1-3-30-23(27)17-13-15-18(16-14-17)24-22(26)20-11-7-8-12-21(20)25(2)31(28,29)19-9-5-4-6-10-19/h4-16H,3H2,1-2H3,(H,24,26)
InChIKeyBELONIFYWSJTAX-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.94
Rot. Bonds7

About ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate

ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate (PubChem CID 1303909) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate
PubChem CID1303909
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Nameethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O5S/c1-3-30-23(27)17-13-15-18(16-14-17)24-22(26)20-11-7-8-12-21(20)25(2)31(28,29)19-9-5-4-6-10-19/h4-16H,3H2,1-2H3,(H,24,26)
InChIKeyBELONIFYWSJTAX-UHFFFAOYSA-N
XLogP3.94
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide
CID 126346371
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015
ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate
CID 7267042
ethyl 3-[[3-[benzenesulfonyl(methyl)amino]thiophene-2-carbonyl]amino]benzoate
CID 46391728
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide
CID 126335731
2-[[4-(2-methoxyethoxy)phenyl]sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide
CID 30867735
2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide
CID 126272189
methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate
CID 21372616
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 43886795
2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide
CID 17427772
ethyl 2-[[2-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzoate
CID 1365080
ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate
CID 17045515

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate (CID 1303909) is ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate?
The InChIKey is BELONIFYWSJTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-3-30-23(27)17-13-15-18(16-14-17)24-22(26)20-11-7-8-12-21(20)25(2)31(28,29)19-9-5-4-6-10-19/h4-16H,3H2,1-2H3,(H,24,26).
What are the key properties of ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate?
ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate has a molecular weight of 438.51 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate is sourced from PubChem (CID 1303909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).