N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide

C12H15F2NO4S — CID 115593870

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C12H15F2NO4S/c1-8(2)19-7-11(16)15-9-5-3-4-6-10(9)20(17,18)12(13)14/h3-6,8,12H,7H2,1-2H3,(H,15,16)
InChIKeyHHJWAVZGHSQVCD-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide

N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide (PubChem CID 115593870) has the molecular formula C12H15F2NO4S and a molecular weight of 307.32 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide
PubChem CID115593870
Molecular FormulaC12H15F2NO4S
Molecular Weight307.32 g/mol
Exact Mass307.07
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C12H15F2NO4S/c1-8(2)19-7-11(16)15-9-5-3-4-6-10(9)20(17,18)12(13)14/h3-6,8,12H,7H2,1-2H3,(H,15,16)
InChIKeyHHJWAVZGHSQVCD-UHFFFAOYSA-N
XLogP2.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
CID 60843539
N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide
CID 43232974
3-[2-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 55049071
N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide
CID 60703571
N-[2-(difluoromethylsulfonyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 8916886
N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209
N-(2-iodophenyl)-2-propan-2-yloxyacetamide
CID 47416512
2-[[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912795
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55340437
N-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55446532
2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
CID 47077896

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide (CID 115593870) is N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide?
The InChIKey is HHJWAVZGHSQVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4S/c1-8(2)19-7-11(16)15-9-5-3-4-6-10(9)20(17,18)12(13)14/h3-6,8,12H,7H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide?
N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide has a molecular weight of 307.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 115593870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).