ethyl 4-[[(4-sulfamoylbenzoyl)amino]carbamoylamino]benzoate

C17H18N4O6S — CID 11235150

IUPACethyl 4-[[(4-sulfamoylbenzoyl)amino]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H18N4O6S/c1-2-27-16(23)12-3-7-13(8-4-12)19-17(24)21-20-15(22)11-5-9-14(10-6-11)28(18,25)26/h3-10H,2H2,1H3,(H,20,22)(H2,18,25,26)(H2,19,21,24)
InChIKeyGZLBYEAKTVNBMZ-UHFFFAOYSA-N
MW406.42 g/mol
LogP0.98
Rot. Bonds5

About ethyl 4-[[(4-sulfamoylbenzoyl)amino]carbamoylamino]benzoate

ethyl 4-[[(4-sulfamoylbenzoyl)amino]carbamoylamino]benzoate (PubChem CID 11235150) has the molecular formula C17H18N4O6S and a molecular weight of 406.42 g/mol. Its IUPAC name is ethyl 4-[[(4-sulfamoylbenzoyl)amino]carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(4-sulfamoylbenzoyl)amino]carbamoylamino]benzoate
PubChem CID11235150
Molecular FormulaC17H18N4O6S
Molecular Weight406.42 g/mol
Exact Mass406.09
IUPAC Nameethyl 4-[[(4-sulfamoylbenzoyl)amino]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H18N4O6S/c1-2-27-16(23)12-3-7-13(8-4-12)19-17(24)21-20-15(22)11-5-9-14(10-6-11)28(18,25)26/h3-10H,2H2,1H3,(H,20,22)(H2,18,25,26)(H2,19,21,24)
InChIKeyGZLBYEAKTVNBMZ-UHFFFAOYSA-N
XLogP0.98
TPSA156.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 4-[[(4-sulfamoylbenzoyl)amino]carbamoylamino]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

4-(Propylsulfonyl)benzyl 4-(acetylamino)benzoate
CID 1300264
Ethyl 4-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)benzoate
CID 1071005
Methyl 4-[(3-{4-[(ethylamino)sulfonyl]phenyl}propanoyl)amino]benzoate
CID 2242819
Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate
CID 3381997
Ethyl 4-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]benzoate
CID 164612156
Methyl 4-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]benzoate
CID 164613918
Tert-butyl 4-[(3-sulfamoylbenzoyl)amino]benzoate
CID 164627639
Methyl 4-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)benzoate
CID 740612
Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate
CID 726331
Ethyl 4-[1-(benzenesulfonyl)piperidine-4-amido]benzoate
CID 1077711
Ethyl 4-({4-[(methylsulfonyl)amino]benzoyl}amino)benzoate
CID 1289222
Methyl 2-{[2-(anilinocarbonyl)hydrazino]sulfonyl}benzenecarboxylate
CID 1471331

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(4-sulfamoylbenzoyl)amino]carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[[(4-sulfamoylbenzoyl)amino]carbamoylamino]benzoate (CID 11235150) is ethyl 4-[[(4-sulfamoylbenzoyl)amino]carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[[(4-sulfamoylbenzoyl)amino]carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[[(4-sulfamoylbenzoyl)amino]carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of ethyl 4-[[(4-sulfamoylbenzoyl)amino]carbamoylamino]benzoate?
The InChIKey is GZLBYEAKTVNBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O6S/c1-2-27-16(23)12-3-7-13(8-4-12)19-17(24)21-20-15(22)11-5-9-14(10-6-11)28(18,25)26/h3-10H,2H2,1H3,(H,20,22)(H2,18,25,26)(H2,19,21,24).
What are the key properties of ethyl 4-[[(4-sulfamoylbenzoyl)amino]carbamoylamino]benzoate?
ethyl 4-[[(4-sulfamoylbenzoyl)amino]carbamoylamino]benzoate has a molecular weight of 406.42 g/mol, XLogP of 0.98, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(4-sulfamoylbenzoyl)amino]carbamoylamino]benzoate is sourced from PubChem (CID 11235150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).