[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate

C15H16N2O6S — CID 4853064

IUPAC[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H16N2O6S/c16-7-11-3-1-2-4-13(11)22-9-15(19)23-8-14(18)17-12-5-6-24(20,21)10-12/h1-4,12H,5-6,8-10H2,(H,17,18)
InChIKeyPGTSOWZJPHEPMR-UHFFFAOYSA-N
MW352.37 g/mol
LogP-0.22
Rot. Bonds6

About [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate

[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate (PubChem CID 4853064) has the molecular formula C15H16N2O6S and a molecular weight of 352.37 g/mol. Its IUPAC name is [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
PubChem CID4853064
Molecular FormulaC15H16N2O6S
Molecular Weight352.37 g/mol
Exact Mass352.07
IUPAC Name[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H16N2O6S/c16-7-11-3-1-2-4-13(11)22-9-15(19)23-8-14(18)17-12-5-6-24(20,21)10-12/h1-4,12H,5-6,8-10H2,(H,17,18)
InChIKeyPGTSOWZJPHEPMR-UHFFFAOYSA-N
XLogP-0.22
TPSA122.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate 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

2-(2,3-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)propanamide
CID 2938849
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 4800874
2-(Cyclohexylamino)-2-oxoethyl 2-(2-cyanophenoxy)acetate
CID 4858603
2-(3-cyanophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 25163860
N-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-2-p-tolyloxy-acetamide
CID 3129054
2-(4-cyanophenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4883501
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 6053808
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 24982079
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 24982884
2-(2,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 2941148
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 4520259
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 6213245

Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate (CID 4853064) is [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate is N#Cc1ccccc1OCC(=O)OCC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The InChIKey is PGTSOWZJPHEPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6S/c16-7-11-3-1-2-4-13(11)22-9-15(19)23-8-14(18)17-12-5-6-24(20,21)10-12/h1-4,12H,5-6,8-10H2,(H,17,18).
What are the key properties of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate has a molecular weight of 352.37 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 4853064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).