N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide

C13H16FNO4S — CID 2935977

IUPACN-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide
SMILESCC(Oc1ccccc1F)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H16FNO4S/c1-9(19-12-5-3-2-4-11(12)14)13(16)15-10-6-7-20(17,18)8-10/h2-5,9-10H,6-8H2,1H3,(H,15,16)
InChIKeyKCLVXHCFONOWPE-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.90
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide

N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide (PubChem CID 2935977) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide
PubChem CID2935977
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide
SMILESCC(Oc1ccccc1F)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H16FNO4S/c1-9(19-12-5-3-2-4-11(12)14)13(16)15-10-6-7-20(17,18)8-10/h2-5,9-10H,6-8H2,1H3,(H,15,16)
InChIKeyKCLVXHCFONOWPE-UHFFFAOYSA-N
XLogP0.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide (CID 2935977) is N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide is CC(Oc1ccccc1F)C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide?
The InChIKey is KCLVXHCFONOWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c1-9(19-12-5-3-2-4-11(12)14)13(16)15-10-6-7-20(17,18)8-10/h2-5,9-10H,6-8H2,1H3,(H,15,16).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide?
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide has a molecular weight of 301.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 2935977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).