[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

C20H24N2O5S — CID 2346832

IUPAC[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O5S/c1-3-22(14-17-7-5-4-6-8-17)19(23)15-27-20(24)13-21-28(25,26)18-11-9-16(2)10-12-18/h4-12,21H,3,13-15H2,1-2H3
InChIKeyAMSVWTWMQABBHC-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.87
Rot. Bonds9

About [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2346832) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID2346832
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O5S/c1-3-22(14-17-7-5-4-6-8-17)19(23)15-27-20(24)13-21-28(25,26)18-11-9-16(2)10-12-18/h4-12,21H,3,13-15H2,1-2H3
InChIKeyAMSVWTWMQABBHC-UHFFFAOYSA-N
XLogP1.87
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate 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-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 2346832) is [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is CCN(Cc1ccccc1)C(=O)COC(=O)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is AMSVWTWMQABBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-3-22(14-17-7-5-4-6-8-17)19(23)15-27-20(24)13-21-28(25,26)18-11-9-16(2)10-12-18/h4-12,21H,3,13-15H2,1-2H3.
What are the key properties of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 404.49 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2346832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).