[2-(2-methoxyethylamino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate

C21H24N2O6S — CID 5154085

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCCOC)c1
InChIInChI=1S/C21H24N2O6S/c1-3-13-23(18-9-5-4-6-10-18)30(26,27)19-11-7-8-17(15-19)21(25)29-16-20(24)22-12-14-28-2/h3-11,15H,1,12-14,16H2,2H3,(H,22,24)
InChIKeySWEIIPHYTSLABP-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.99
Rot. Bonds11

About [2-(2-methoxyethylamino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate

[2-(2-methoxyethylamino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate (PubChem CID 5154085) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
PubChem CID5154085
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCCOC)c1
InChIInChI=1S/C21H24N2O6S/c1-3-13-23(18-9-5-4-6-10-18)30(26,27)19-11-7-8-17(15-19)21(25)29-16-20(24)22-12-14-28-2/h3-11,15H,1,12-14,16H2,2H3,(H,22,24)
InChIKeySWEIIPHYTSLABP-UHFFFAOYSA-N
XLogP1.99
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [2-(2-methoxyethylamino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate (CID 5154085) is [2-(2-methoxyethylamino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate is C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCCOC)c1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate?
The InChIKey is SWEIIPHYTSLABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-3-13-23(18-9-5-4-6-10-18)30(26,27)19-11-7-8-17(15-19)21(25)29-16-20(24)22-12-14-28-2/h3-11,15H,1,12-14,16H2,2H3,(H,22,24).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate?
[2-(2-methoxyethylamino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate has a molecular weight of 432.50 g/mol, XLogP of 1.99, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate is sourced from PubChem (CID 5154085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).