ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate

C20H24N2O6S — CID 45373125

IUPACethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H24N2O6S/c1-4-27-17-10-12-18(13-11-17)29(25,26)22(3)14-19(23)21-16-8-6-15(7-9-16)20(24)28-5-2/h6-13H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyYGVZWWZCLVIJRN-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.52
Rot. Bonds9

About ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate

ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate (PubChem CID 45373125) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
PubChem CID45373125
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Nameethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H24N2O6S/c1-4-27-17-10-12-18(13-11-17)29(25,26)22(3)14-19(23)21-16-8-6-15(7-9-16)20(24)28-5-2/h6-13H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyYGVZWWZCLVIJRN-UHFFFAOYSA-N
XLogP2.52
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373124
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434
ethyl 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 2197414
dimethyl 5-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 45373145
N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45373137
ethyl 4-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 1361320
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide
CID 45373085
ethyl 4-[[2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45371787
ethyl 4-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate
CID 126033400
ethyl 4-[[2-[ethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 4675849
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718
ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate
CID 38924617

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate (CID 45373125) is ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OCC)cc2)cc1.
What is the InChIKey of ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate?
The InChIKey is YGVZWWZCLVIJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-4-27-17-10-12-18(13-11-17)29(25,26)22(3)14-19(23)21-16-8-6-15(7-9-16)20(24)28-5-2/h6-13H,4-5,14H2,1-3H3,(H,21,23).
What are the key properties of ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate?
ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate has a molecular weight of 420.49 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate is sourced from PubChem (CID 45373125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).