2-(2-methyl-N-methylsulfonylanilino)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide

C19H21F3N2O4S — CID 55803123

IUPAC2-(2-methyl-N-methylsulfonylanilino)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide
SMILESCc1ccccc1N(CC(=O)NCCOc1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C19H21F3N2O4S/c1-14-6-3-4-9-17(14)24(29(2,26)27)13-18(25)23-10-11-28-16-8-5-7-15(12-16)19(20,21)22/h3-9,12H,10-11,13H2,1-2H3,(H,23,25)
InChIKeyAAEVMTWMCBTGON-UHFFFAOYSA-N
MW430.45 g/mol
LogP2.98
Rot. Bonds8

About 2-(2-methyl-N-methylsulfonylanilino)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide

2-(2-methyl-N-methylsulfonylanilino)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide (PubChem CID 55803123) has the molecular formula C19H21F3N2O4S and a molecular weight of 430.45 g/mol. Its IUPAC name is 2-(2-methyl-N-methylsulfonylanilino)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-N-methylsulfonylanilino)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide
PubChem CID55803123
Molecular FormulaC19H21F3N2O4S
Molecular Weight430.45 g/mol
Exact Mass430.12
IUPAC Name2-(2-methyl-N-methylsulfonylanilino)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide
SMILESCc1ccccc1N(CC(=O)NCCOc1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C19H21F3N2O4S/c1-14-6-3-4-9-17(14)24(29(2,26)27)13-18(25)23-10-11-28-16-8-5-7-15(12-16)19(20,21)22/h3-9,12H,10-11,13H2,1-2H3,(H,23,25)
InChIKeyAAEVMTWMCBTGON-UHFFFAOYSA-N
XLogP2.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55408036
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 55803318
N-[2-(4-methylphenoxy)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 30224282
2-[methyl-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]amino]propanoic acid
CID 119912627
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30210898
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 120589464
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 120589463
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30217607
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 31115277
4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30865966

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide?
The IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide (CID 55803123) is 2-(2-methyl-N-methylsulfonylanilino)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide.
What is the SMILES notation for 2-(2-methyl-N-methylsulfonylanilino)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide?
The canonical SMILES for 2-(2-methyl-N-methylsulfonylanilino)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide is Cc1ccccc1N(CC(=O)NCCOc1cccc(C(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of 2-(2-methyl-N-methylsulfonylanilino)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide?
The InChIKey is AAEVMTWMCBTGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4S/c1-14-6-3-4-9-17(14)24(29(2,26)27)13-18(25)23-10-11-28-16-8-5-7-15(12-16)19(20,21)22/h3-9,12H,10-11,13H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-methyl-N-methylsulfonylanilino)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide?
2-(2-methyl-N-methylsulfonylanilino)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide has a molecular weight of 430.45 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-methylsulfonylanilino)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide is sourced from PubChem (CID 55803123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).