N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-fluorophenoxy)acetamide

C13H16FNO4S — CID 47156920

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C13H16FNO4S/c14-11-3-1-2-4-12(11)19-8-13(16)15-7-10-5-6-20(17,18)9-10/h1-4,10H,5-9H2,(H,15,16)
InChIKeySYSJXSSABNGPJM-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.76
Rot. Bonds5

About N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-fluorophenoxy)acetamide

N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 47156920) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
PubChem CID47156920
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C13H16FNO4S/c14-11-3-1-2-4-12(11)19-8-13(16)15-7-10-5-6-20(17,18)9-10/h1-4,10H,5-9H2,(H,15,16)
InChIKeySYSJXSSABNGPJM-UHFFFAOYSA-N
XLogP0.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-fluorophenoxy)acetamide (CID 47156920) is N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)NCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is SYSJXSSABNGPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c14-11-3-1-2-4-12(11)19-8-13(16)15-7-10-5-6-20(17,18)9-10/h1-4,10H,5-9H2,(H,15,16).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-fluorophenoxy)acetamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 301.34 g/mol, XLogP of 0.76, 5 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)methyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 47156920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).