N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C17H17F3N2O4S — CID 56548694

IUPACN-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCOc1ccccc1N(C)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O4S/c1-22(14-8-3-4-9-15(14)26-2)16(23)11-21-27(24,25)13-7-5-6-12(10-13)17(18,19)20/h3-10,21H,11H2,1-2H3
InChIKeyIYPLLPTYVLJRMR-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.66
Rot. Bonds6

About N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 56548694) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID56548694
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC NameN-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCOc1ccccc1N(C)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O4S/c1-22(14-8-3-4-9-15(14)26-2)16(23)11-21-27(24,25)13-7-5-6-12(10-13)17(18,19)20/h3-10,21H,11H2,1-2H3
InChIKeyIYPLLPTYVLJRMR-UHFFFAOYSA-N
XLogP2.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[methyl-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]acetate
CID 56548130
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-[3-(2-methoxyphenyl)prop-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90553249
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90598156
N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78781511
N-[(4-bromophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55328980
N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78931832
methyl 3-[2-methylpropyl-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanoate
CID 56549141
2-[butan-2-yl-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]acetic acid
CID 119954511
N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
CID 119660989
N-[4-[acetyl(methyl)amino]phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548568
N-[[4-(methoxymethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545971

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 56548694) is N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is COc1ccccc1N(C)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is IYPLLPTYVLJRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-22(14-8-3-4-9-15(14)26-2)16(23)11-21-27(24,25)13-7-5-6-12(10-13)17(18,19)20/h3-10,21H,11H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 402.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 56548694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).