N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide

C14H19F3N2O3S — CID 58663163

IUPACN-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
SMILESCCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C14H19F3N2O3S/c1-5-18-10-7-6-9(23(21,22)14(15,16)17)8-11(10)19-12(20)13(2,3)4/h6-8,18H,5H2,1-4H3,(H,19,20)
InChIKeyWNBGRURYOYBFMR-UHFFFAOYSA-N
MW352.38 g/mol
LogP3.40
Rot. Bonds4

About N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide

N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 58663163) has the molecular formula C14H19F3N2O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
PubChem CID58663163
Molecular FormulaC14H19F3N2O3S
Molecular Weight352.38 g/mol
Exact Mass352.11
IUPAC NameN-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
SMILESCCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C14H19F3N2O3S/c1-5-18-10-7-6-9(23(21,22)14(15,16)17)8-11(10)19-12(20)13(2,3)4/h6-8,18H,5H2,1-4H3,(H,19,20)
InChIKeyWNBGRURYOYBFMR-UHFFFAOYSA-N
XLogP3.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide (CID 58663163) is N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide is CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is WNBGRURYOYBFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3S/c1-5-18-10-7-6-9(23(21,22)14(15,16)17)8-11(10)19-12(20)13(2,3)4/h6-8,18H,5H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide?
N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 352.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 58663163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).