N-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide

C17H15F5N2O3S — CID 132666776

IUPACN-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1F)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C17H15F5N2O3S/c1-10(16(25)23-15-7-6-12(18)9-14(15)19)24(28(2,26)27)13-5-3-4-11(8-13)17(20,21)22/h3-10H,1-2H3,(H,23,25)
InChIKeyFEGPKEBOXRYPEL-UHFFFAOYSA-N
MW422.38 g/mol
LogP3.78
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide

N-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide (PubChem CID 132666776) has the molecular formula C17H15F5N2O3S and a molecular weight of 422.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
PubChem CID132666776
Molecular FormulaC17H15F5N2O3S
Molecular Weight422.38 g/mol
Exact Mass422.07
IUPAC NameN-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1F)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C17H15F5N2O3S/c1-10(16(25)23-15-7-6-12(18)9-14(15)19)24(28(2,26)27)13-5-3-4-11(8-13)17(20,21)22/h3-10H,1-2H3,(H,23,25)
InChIKeyFEGPKEBOXRYPEL-UHFFFAOYSA-N
XLogP3.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfanylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132669487
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 132668310
2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide
CID 132668719
(2R)-N-(2,4-difluorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 126415815
(2R)-N-(2,4-difluorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2239790
N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 53285822
N-(2-methyl-5-nitrophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132673464
N-(2,4-difluorophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 2927652
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133210830
2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 53288513
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide
CID 132664482
N-(2-tert-butylsulfanylethyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132667893

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide (CID 132666776) is N-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide is CC(C(=O)Nc1ccc(F)cc1F)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide?
The InChIKey is FEGPKEBOXRYPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N2O3S/c1-10(16(25)23-15-7-6-12(18)9-14(15)19)24(28(2,26)27)13-5-3-4-11(8-13)17(20,21)22/h3-10H,1-2H3,(H,23,25).
What are the key properties of N-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide?
N-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide has a molecular weight of 422.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 132666776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).