N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide

C17H17F3N2O3S — CID 133287951

IUPACN-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNc2ccccc2S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O3S/c1-12(23)22-14-8-6-13(7-9-14)10-11-21-15-4-2-3-5-16(15)26(24,25)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23)
InChIKeyGLNSHAAZYBNSKX-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.59
Rot. Bonds6

About N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide

N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide (PubChem CID 133287951) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide
PubChem CID133287951
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNc2ccccc2S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O3S/c1-12(23)22-14-8-6-13(7-9-14)10-11-21-15-4-2-3-5-16(15)26(24,25)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23)
InChIKeyGLNSHAAZYBNSKX-UHFFFAOYSA-N
XLogP3.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]acetamide
CID 112983436
N-[4-[2-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide
CID 133287982
N-(3-chlorobutyl)-2-(trifluoromethylsulfonyl)aniline
CID 65028628
4-[2-(2-methylsulfonylanilino)ethyl]phenol
CID 61237844
methyl 6-[2-(trifluoromethylsulfonyl)anilino]hexanoate
CID 60597269
N-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide
CID 133287896
(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 93044584
N-(2-chlorobutyl)-2-(trifluoromethylsulfonyl)aniline
CID 113492826
2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 43454307
N-[2-methyl-5-(2-phenylethylamino)phenyl]acetamide
CID 43735891
2,3-dimethyl-3-[2-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 106185939
3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide
CID 109024184

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide (CID 133287951) is N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CCNc2ccccc2S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide?
The InChIKey is GLNSHAAZYBNSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-12(23)22-14-8-6-13(7-9-14)10-11-21-15-4-2-3-5-16(15)26(24,25)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23).
What are the key properties of N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide?
N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide has a molecular weight of 386.40 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide is sourced from PubChem (CID 133287951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).