[2-(N-ethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate

C18H20N2O5S — CID 2442604

IUPAC[2-(N-ethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate
SMILESCCN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O5S/c1-2-20(15-9-5-3-6-10-15)17(21)14-25-18(22)13-19-26(23,24)16-11-7-4-8-12-16/h3-12,19H,2,13-14H2,1H3
InChIKeyFLGXCFPAQTYFMV-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.56
Rot. Bonds8

About [2-(N-ethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate

[2-(N-ethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate (PubChem CID 2442604) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is [2-(N-ethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate.

Molecular Properties

Compound Name[2-(N-ethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate
PubChem CID2442604
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name[2-(N-ethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate
SMILESCCN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O5S/c1-2-20(15-9-5-3-6-10-15)17(21)14-25-18(22)13-19-26(23,24)16-11-7-4-8-12-16/h3-12,19H,2,13-14H2,1H3
InChIKeyFLGXCFPAQTYFMV-UHFFFAOYSA-N
XLogP1.56
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(N-ethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)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-(N-ethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate?
The IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate (CID 2442604) is [2-(N-ethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate.
What is the SMILES notation for [2-(N-ethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate?
The canonical SMILES for [2-(N-ethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate is CCN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(N-ethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate?
The InChIKey is FLGXCFPAQTYFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-2-20(15-9-5-3-6-10-15)17(21)14-25-18(22)13-19-26(23,24)16-11-7-4-8-12-16/h3-12,19H,2,13-14H2,1H3.
What are the key properties of [2-(N-ethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate?
[2-(N-ethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate has a molecular weight of 376.43 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate is sourced from PubChem (CID 2442604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).