2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide

C18H18F4N2O4S — CID 133166619

IUPAC2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C18H18F4N2O4S/c1-3-15(24(29(2,26)27)16-7-5-4-6-14(16)19)17(25)23-12-8-10-13(11-9-12)28-18(20,21)22/h4-11,15H,3H2,1-2H3,(H,23,25)
InChIKeyFIMOKBXJIQURKZ-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.91
Rot. Bonds7

About 2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide

2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide (PubChem CID 133166619) has the molecular formula C18H18F4N2O4S and a molecular weight of 434.41 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide
PubChem CID133166619
Molecular FormulaC18H18F4N2O4S
Molecular Weight434.41 g/mol
Exact Mass434.09
IUPAC Name2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C18H18F4N2O4S/c1-3-15(24(29(2,26)27)16-7-5-4-6-14(16)19)17(25)23-12-8-10-13(11-9-12)28-18(20,21)22/h4-11,15H,3H2,1-2H3,(H,23,25)
InChIKeyFIMOKBXJIQURKZ-UHFFFAOYSA-N
XLogP3.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide
CID 99132754
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 53288310
N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53288278
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide
CID 100523601
(2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 99132698
(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide
CID 95195829
3-[2-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide
CID 53288176
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132853
ethyl 4-[2-(2-fluoro-N-methylsulfonylanilino)butanoylamino]-3-methylbenzoate
CID 132670733
(2S)-N-[(2-chlorophenyl)methyl]-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 99132618
2-(2-fluoro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53288449
(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 7957205

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide (CID 133166619) is 2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for 2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide is CCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of 2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is FIMOKBXJIQURKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O4S/c1-3-15(24(29(2,26)27)16-7-5-4-6-14(16)19)17(25)23-12-8-10-13(11-9-12)28-18(20,21)22/h4-11,15H,3H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide?
2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 434.41 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 133166619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).