2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide

C19H21F3N2O3S — CID 132664482

IUPAC2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide
SMILESCC(C(=O)NCCc1ccccc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C19H21F3N2O3S/c1-14(18(25)23-12-11-15-7-4-3-5-8-15)24(28(2,26)27)17-10-6-9-16(13-17)19(20,21)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)
InChIKeyCPIJZTTZLWNBJE-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.22
Rot. Bonds7

About 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide

2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide (PubChem CID 132664482) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide
PubChem CID132664482
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide
SMILESCC(C(=O)NCCc1ccccc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C19H21F3N2O3S/c1-14(18(25)23-12-11-15-7-4-3-5-8-15)24(28(2,26)27)17-10-6-9-16(13-17)19(20,21)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)
InChIKeyCPIJZTTZLWNBJE-UHFFFAOYSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132672841
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylsulfanylethyl)propanamide
CID 132673780
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide
CID 132674576
N-(2-tert-butylsulfanylethyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132667893
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 2962930
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165316
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 133162254
2-(4-methyl-N-methylsulfonylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 133160439
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 132662735
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 132668310
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133210830
N-(2-methylsulfanylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132669487

Frequently Asked Questions

What is the IUPAC name of 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide (CID 132664482) is 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide is CC(C(=O)NCCc1ccccc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide?
The InChIKey is CPIJZTTZLWNBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-14(18(25)23-12-11-15-7-4-3-5-8-15)24(28(2,26)27)17-10-6-9-16(13-17)19(20,21)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25).
What are the key properties of 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide?
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide has a molecular weight of 414.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 132664482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).