N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide

C13H17NO4S — CID 2792219

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide
SMILESCN(C(=O)COc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H17NO4S/c1-14(11-7-8-19(16,17)10-11)13(15)9-18-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyUVKNMMVNISPLFG-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.71
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide (PubChem CID 2792219) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide
PubChem CID2792219
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide
SMILESCN(C(=O)COc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H17NO4S/c1-14(11-7-8-19(16,17)10-11)13(15)9-18-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyUVKNMMVNISPLFG-UHFFFAOYSA-N
XLogP0.71
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide
CID 4649705
2-(4-chlorophenoxy)-N-methyl-N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)acetamide
CID 16265693
2-(3-cyanophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 25163860
2-Phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 740702
Thiazolidine, 3-((2-ethoxyethoxy)acetyl)-2-((2-methoxyphenoxy)methyl)-
CID 3025458
Thiazolidine, 2-((2-methoxyphenoxy)methyl)-3-((methylsulfinyl)acetyl)-
CID 3074777
N-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-N-methyl-2-[3-(3-methyl-butoxy)-phenoxy]-acetamide
CID 649793
N-[2-(tert-butylsulfanyl)ethyl]-2-phenoxyacetamide
CID 2269123
2-(4-tert-butylphenoxy)-N-(1,1-dioxidotetrahydro-3-thienyl)-N-methylacetamide
CID 2941615
N-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-2-p-tolyloxy-acetamide
CID 3129054

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide (CID 2792219) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide is CN(C(=O)COc1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide?
The InChIKey is UVKNMMVNISPLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-14(11-7-8-19(16,17)10-11)13(15)9-18-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide has a molecular weight of 283.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide is sourced from PubChem (CID 2792219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).