N-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide

C17H17F3N2O3S — CID 113157532

IUPACN-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)cc(NC(=O)CN(c2ccc(F)c(F)c2F)S(C)(=O)=O)c1
InChIInChI=1S/C17H17F3N2O3S/c1-10-6-11(2)8-12(7-10)21-15(23)9-22(26(3,24)25)14-5-4-13(18)16(19)17(14)20/h4-8H,9H2,1-3H3,(H,21,23)
InChIKeyXSLWOAIBTUNUOB-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.13
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide

N-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide (PubChem CID 113157532) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
PubChem CID113157532
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)cc(NC(=O)CN(c2ccc(F)c(F)c2F)S(C)(=O)=O)c1
InChIInChI=1S/C17H17F3N2O3S/c1-10-6-11(2)8-12(7-10)21-15(23)9-22(26(3,24)25)14-5-4-13(18)16(19)17(14)20/h4-8H,9H2,1-3H3,(H,21,23)
InChIKeyXSLWOAIBTUNUOB-UHFFFAOYSA-N
XLogP3.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157541
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 1308135
N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157523
N-(2-fluorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157538
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113153986
N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 51343114
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1338023
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide
CID 22193721
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
N-(3-methylbutyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157515
N-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157484
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 998752

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide (CID 113157532) is N-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide is Cc1cc(C)cc(NC(=O)CN(c2ccc(F)c(F)c2F)S(C)(=O)=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is XSLWOAIBTUNUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-10-6-11(2)8-12(7-10)21-15(23)9-22(26(3,24)25)14-5-4-13(18)16(19)17(14)20/h4-8H,9H2,1-3H3,(H,21,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide?
N-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 386.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113157532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).