methyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate

C11H14N2O5S — CID 2331295

IUPACmethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
SMILESCOC(=O)CNC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14N2O5S/c1-8-3-5-9(6-4-8)19(16,17)13-11(15)12-7-10(14)18-2/h3-6H,7H2,1-2H3,(H2,12,13,15)
InChIKeyODQIQSCAFJYGGZ-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.16
Rot. Bonds4

About methyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate

methyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate (PubChem CID 2331295) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is methyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
PubChem CID2331295
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Namemethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
SMILESCOC(=O)CNC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14N2O5S/c1-8-3-5-9(6-4-8)19(16,17)13-11(15)12-7-10(14)18-2/h3-6H,7H2,1-2H3,(H2,12,13,15)
InChIKeyODQIQSCAFJYGGZ-UHFFFAOYSA-N
XLogP0.16
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]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 methyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate?
The IUPAC name of methyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate (CID 2331295) is methyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate.
What is the SMILES notation for methyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate?
The canonical SMILES for methyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate is COC(=O)CNC(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate?
The InChIKey is ODQIQSCAFJYGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-8-3-5-9(6-4-8)19(16,17)13-11(15)12-7-10(14)18-2/h3-6H,7H2,1-2H3,(H2,12,13,15).
What are the key properties of methyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate?
methyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate has a molecular weight of 286.31 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate is sourced from PubChem (CID 2331295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).