N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide

C11H14F2N2O3S — CID 60703571

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H14F2N2O3S/c1-2-14-7-10(16)15-8-5-3-4-6-9(8)19(17,18)11(12)13/h3-6,11,14H,2,7H2,1H3,(H,15,16)
InChIKeyHJITVMLHXVOKGF-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.23
Rot. Bonds6

About N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide

N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide (PubChem CID 60703571) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide
PubChem CID60703571
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H14F2N2O3S/c1-2-14-7-10(16)15-8-5-3-4-6-9(8)19(17,18)11(12)13/h3-6,11,14H,2,7H2,1H3,(H,15,16)
InChIKeyHJITVMLHXVOKGF-UHFFFAOYSA-N
XLogP1.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide
CID 43232974
3-[2-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 55049071
N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide
CID 115593870
3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
CID 60843539
N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209
N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55340437
2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
CID 47077896
N-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55446532
N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide
CID 78954690
N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 46666057
2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide
CID 60846853
N-(4-chlorophenyl)-2-[2-(difluoromethylsulfonyl)anilino]acetamide
CID 133298392

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide (CID 60703571) is N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide is CCNCC(=O)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide?
The InChIKey is HJITVMLHXVOKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c1-2-14-7-10(16)15-8-5-3-4-6-9(8)19(17,18)11(12)13/h3-6,11,14H,2,7H2,1H3,(H,15,16).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide?
N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide has a molecular weight of 292.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide is sourced from PubChem (CID 60703571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).