2-(3-fluoro-2-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide

C14H19FN2O4S — CID 22305344

IUPAC2-(3-fluoro-2-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)c1c(F)cccc1NCC(=O)NCC1CCCO1
InChIInChI=1S/C14H19FN2O4S/c1-22(19,20)14-11(15)5-2-6-12(14)16-9-13(18)17-8-10-4-3-7-21-10/h2,5-6,10,16H,3-4,7-9H2,1H3,(H,17,18)
InChIKeyGBVGHWPXTSMTGX-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.94
Rot. Bonds6

About 2-(3-fluoro-2-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(3-fluoro-2-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 22305344) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(3-fluoro-2-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-2-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID22305344
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name2-(3-fluoro-2-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)c1c(F)cccc1NCC(=O)NCC1CCCO1
InChIInChI=1S/C14H19FN2O4S/c1-22(19,20)14-11(15)5-2-6-12(14)16-9-13(18)17-8-10-4-3-7-21-10/h2,5-6,10,16H,3-4,7-9H2,1H3,(H,17,18)
InChIKeyGBVGHWPXTSMTGX-UHFFFAOYSA-N
XLogP0.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-fluoro-2-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 22305344) is 2-(3-fluoro-2-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-2-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-fluoro-2-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is CS(=O)(=O)c1c(F)cccc1NCC(=O)NCC1CCCO1.
What is the InChIKey of 2-(3-fluoro-2-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is GBVGHWPXTSMTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-22(19,20)14-11(15)5-2-6-12(14)16-9-13(18)17-8-10-4-3-7-21-10/h2,5-6,10,16H,3-4,7-9H2,1H3,(H,17,18).
What are the key properties of 2-(3-fluoro-2-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(3-fluoro-2-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 330.38 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 22305344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).