2-[(4-fluorophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide

C12H17FN2O4S — CID 22301469

IUPAC2-[(4-fluorophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O4S/c1-19-7-6-14-12(16)8-15-20(17,18)9-10-2-4-11(13)5-3-10/h2-5,15H,6-9H2,1H3,(H,14,16)
InChIKeyLLIQDEDHYGIOPG-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.01
Rot. Bonds8

About 2-[(4-fluorophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide

2-[(4-fluorophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 22301469) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
PubChem CID22301469
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name2-[(4-fluorophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O4S/c1-19-7-6-14-12(16)8-15-20(17,18)9-10-2-4-11(13)5-3-10/h2-5,15H,6-9H2,1H3,(H,14,16)
InChIKeyLLIQDEDHYGIOPG-UHFFFAOYSA-N
XLogP0.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide (CID 22301469) is 2-[(4-fluorophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is LLIQDEDHYGIOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-19-7-6-14-12(16)8-15-20(17,18)9-10-2-4-11(13)5-3-10/h2-5,15H,6-9H2,1H3,(H,14,16).
What are the key properties of 2-[(4-fluorophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
2-[(4-fluorophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 304.34 g/mol, XLogP of 0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 22301469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).