N-[1-(2,5-dimethylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide

C20H23F3N2O3S — CID 43895754

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCc1ccc(C)c(C(C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C20H23F3N2O3S/c1-13-8-9-14(2)18(10-13)15(3)24-19(26)12-25(29(4,27)28)17-7-5-6-16(11-17)20(21,22)23/h5-11,15H,12H2,1-4H3,(H,24,26)
InChIKeyQNQDXHXNBJMKFB-UHFFFAOYSA-N
MW428.48 g/mol
LogP3.97
Rot. Bonds6

About N-[1-(2,5-dimethylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide

N-[1-(2,5-dimethylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 43895754) has the molecular formula C20H23F3N2O3S and a molecular weight of 428.48 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID43895754
Molecular FormulaC20H23F3N2O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCc1ccc(C)c(C(C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C20H23F3N2O3S/c1-13-8-9-14(2)18(10-13)15(3)24-19(26)12-25(29(4,27)28)17-7-5-6-16(11-17)20(21,22)23/h5-11,15H,12H2,1-4H3,(H,24,26)
InChIKeyQNQDXHXNBJMKFB-UHFFFAOYSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43896298
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43899281
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2273018
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 92646225
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30226260
2-(4-bromo-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30219947
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 43897328
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 30221432
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43891906
2-(3-bromo-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28632601
N-[(2S)-3-methylbutan-2-yl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 100562884
N-[(1R)-1-(4-methylphenyl)ethyl]-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 99132434

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (CID 43895754) is N-[1-(2,5-dimethylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is Cc1ccc(C)c(C(C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is QNQDXHXNBJMKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3S/c1-13-8-9-14(2)18(10-13)15(3)24-19(26)12-25(29(4,27)28)17-7-5-6-16(11-17)20(21,22)23/h5-11,15H,12H2,1-4H3,(H,24,26).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
N-[1-(2,5-dimethylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 428.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 43895754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).