N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide

C13H18F2N2O3S — CID 78954690

IUPACN-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide
SMILESCC(C)(C)NC(=O)CNc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C13H18F2N2O3S/c1-13(2,3)17-11(18)8-16-9-6-4-5-7-10(9)21(19,20)12(14)15/h4-7,12,16H,8H2,1-3H3,(H,17,18)
InChIKeyKPZSIKUIGFPTHX-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.01
Rot. Bonds5

About N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide

N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide (PubChem CID 78954690) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide
PubChem CID78954690
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC NameN-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide
SMILESCC(C)(C)NC(=O)CNc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C13H18F2N2O3S/c1-13(2,3)17-11(18)8-16-9-6-4-5-7-10(9)21(19,20)12(14)15/h4-7,12,16H,8H2,1-3H3,(H,17,18)
InChIKeyKPZSIKUIGFPTHX-UHFFFAOYSA-N
XLogP2.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[2-(difluoromethylsulfonyl)anilino]acetamide
CID 133298392
3-[2-(difluoromethylsulfonyl)anilino]-2,2-dimethylpropanoic acid
CID 115427654
N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide
CID 43232974
N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide
CID 60703571
N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209
2-(2-bromoanilino)-N-tert-butylacetamide
CID 28581046
3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol
CID 66177121
3-[2-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 55049071
4-[2-(difluoromethylsulfonyl)anilino]-3,3-dimethylbutan-1-ol
CID 103705332
3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide
CID 60925281
3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
CID 60843539
N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide
CID 115593870

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide?
The IUPAC name of N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide (CID 78954690) is N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide is CC(C)(C)NC(=O)CNc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide?
The InChIKey is KPZSIKUIGFPTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-13(2,3)17-11(18)8-16-9-6-4-5-7-10(9)21(19,20)12(14)15/h4-7,12,16H,8H2,1-3H3,(H,17,18).
What are the key properties of N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide?
N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide has a molecular weight of 320.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide is sourced from PubChem (CID 78954690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).