N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenoxy)acetamide

C13H17NO5S — CID 2918502

IUPACN-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C13H17NO5S/c1-18-11-2-4-12(5-3-11)19-8-13(15)14-10-6-7-20(16,17)9-10/h2-5,10H,6-9H2,1H3,(H,14,15)
InChIKeyTYSFSRXRSFMYIX-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.38
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenoxy)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 2918502) 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-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenoxy)acetamide
PubChem CID2918502
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C13H17NO5S/c1-18-11-2-4-12(5-3-11)19-8-13(15)14-10-6-7-20(16,17)9-10/h2-5,10H,6-9H2,1H3,(H,14,15)
InChIKeyTYSFSRXRSFMYIX-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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenoxy)acetamide (CID 2918502) is N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NC2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is TYSFSRXRSFMYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-18-11-2-4-12(5-3-11)19-8-13(15)14-10-6-7-20(16,17)9-10/h2-5,10H,6-9H2,1H3,(H,14,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenoxy)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(4-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-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 2918502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).