[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate

C16H21NO6S — CID 24687720

IUPAC[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H21NO6S/c1-12-4-2-3-5-14(12)22-8-6-16(19)23-10-15(18)17-13-7-9-24(20,21)11-13/h2-5,13H,6-11H2,1H3,(H,17,18)
InChIKeyGHYLDIRQLZYXKE-UHFFFAOYSA-N
MW355.41 g/mol
LogP0.61
Rot. Bonds7

About [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate

[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate (PubChem CID 24687720) has the molecular formula C16H21NO6S and a molecular weight of 355.41 g/mol. Its IUPAC name is [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
PubChem CID24687720
Molecular FormulaC16H21NO6S
Molecular Weight355.41 g/mol
Exact Mass355.11
IUPAC Name[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H21NO6S/c1-12-4-2-3-5-14(12)22-8-6-16(19)23-10-15(18)17-13-7-9-24(20,21)11-13/h2-5,13H,6-11H2,1H3,(H,17,18)
InChIKeyGHYLDIRQLZYXKE-UHFFFAOYSA-N
XLogP0.61
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate 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

N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide
CID 2850487
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide
CID 2935977
2-(2,3-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)propanamide
CID 2938849
N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 3129057
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2997647
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate
CID 2998171
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 2999107
N-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-2-p-tolyloxy-acetamide
CID 3129054
N-(1,1-dioxothiolan-3-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 3576888
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide
CID 4885216
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-2-((2-oxo-2H-chromen-7-yl)oxy)acetamide
CID 16420955
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 24982079

Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The IUPAC name of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate (CID 24687720) is [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The canonical SMILES for [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate is Cc1ccccc1OCCC(=O)OCC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The InChIKey is GHYLDIRQLZYXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO6S/c1-12-4-2-3-5-14(12)22-8-6-16(19)23-10-15(18)17-13-7-9-24(20,21)11-13/h2-5,13H,6-11H2,1H3,(H,17,18).
What are the key properties of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate has a molecular weight of 355.41 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 24687720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).