2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide

C11H14F2N2O4S — CID 106239402

IUPAC2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide
SMILESNC(=O)COCCNc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H14F2N2O4S/c12-11(13)20(17,18)9-4-2-1-3-8(9)15-5-6-19-7-10(14)16/h1-4,11,15H,5-7H2,(H2,14,16)
InChIKeyDLAPFQXFPKKSLU-UHFFFAOYSA-N
MW308.31 g/mol
LogP0.60
Rot. Bonds8

About 2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide

2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide (PubChem CID 106239402) has the molecular formula C11H14F2N2O4S and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide
PubChem CID106239402
Molecular FormulaC11H14F2N2O4S
Molecular Weight308.31 g/mol
Exact Mass308.06
IUPAC Name2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide
SMILESNC(=O)COCCNc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H14F2N2O4S/c12-11(13)20(17,18)9-4-2-1-3-8(9)15-5-6-19-7-10(14)16/h1-4,11,15H,5-7H2,(H2,14,16)
InChIKeyDLAPFQXFPKKSLU-UHFFFAOYSA-N
XLogP0.60
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide 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 2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide?
The IUPAC name of 2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide (CID 106239402) is 2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide is NC(=O)COCCNc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide?
The InChIKey is DLAPFQXFPKKSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S/c12-11(13)20(17,18)9-4-2-1-3-8(9)15-5-6-19-7-10(14)16/h1-4,11,15H,5-7H2,(H2,14,16).
What are the key properties of 2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide?
2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide has a molecular weight of 308.31 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide is sourced from PubChem (CID 106239402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).