N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide

C13H17NO5S — CID 4649705

IUPACN-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C13H17NO5S/c1-18-11-3-2-4-12(7-11)19-8-13(15)14-10-5-6-20(16,17)9-10/h2-4,7,10H,5-6,8-9H2,1H3,(H,14,15)
InChIKeyJAWPTPACGBCICF-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.38
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide (PubChem CID 4649705) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide
PubChem CID4649705
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C13H17NO5S/c1-18-11-3-2-4-12(7-11)19-8-13(15)14-10-5-6-20(16,17)9-10/h2-4,7,10H,5-6,8-9H2,1H3,(H,14,15)
InChIKeyJAWPTPACGBCICF-UHFFFAOYSA-N
XLogP0.38
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide 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
N-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-N-methyl-2-[3-(3-methyl-butoxy)-phenoxy]-acetamide
CID 649793
N-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-2-p-tolyloxy-acetamide
CID 3129054
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-2-(4-phenoxyphenoxy)acetamide
CID 633100
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-phenoxyphenoxy)acetamide
CID 3129052
N-(2-oxotetrahydrothiophen-3-yl)-2-phenoxybutanamide
CID 3155139
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-((2-oxo-2H-chromen-7-yl)oxy)acetamide
CID 4457624
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 4520259
N-(2-oxothiolan-3-yl)-2-phenoxyacetamide
CID 2904031
N-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-2-[3-(3-methyl-butoxy)-phenoxy]-acetamide
CID 650708
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide
CID 2792219

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide (CID 4649705) is N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide?
The InChIKey is JAWPTPACGBCICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-18-11-3-2-4-12(7-11)19-8-13(15)14-10-5-6-20(16,17)9-10/h2-4,7,10H,5-6,8-9H2,1H3,(H,14,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide has a molecular weight of 299.35 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 4649705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).