2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide

C19H20F3NO4S — CID 53257306

IUPAC2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESCC(C)(C(=O)NCCOc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO4S/c1-18(2,17(24)23-12-13-27-15-6-4-3-5-7-15)28(25,26)16-10-8-14(9-11-16)19(20,21)22/h3-11H,12-13H2,1-2H3,(H,23,24)
InChIKeyXNTAUFQRELDFKY-UHFFFAOYSA-N
MW415.43 g/mol
LogP3.45
Rot. Bonds7

About 2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide

2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide (PubChem CID 53257306) has the molecular formula C19H20F3NO4S and a molecular weight of 415.43 g/mol. Its IUPAC name is 2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
PubChem CID53257306
Molecular FormulaC19H20F3NO4S
Molecular Weight415.43 g/mol
Exact Mass415.11
IUPAC Name2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESCC(C)(C(=O)NCCOc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO4S/c1-18(2,17(24)23-12-13-27-15-6-4-3-5-7-15)28(25,26)16-10-8-14(9-11-16)19(20,21)22/h3-11H,12-13H2,1-2H3,(H,23,24)
InChIKeyXNTAUFQRELDFKY-UHFFFAOYSA-N
XLogP3.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.45
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

2,2,2-trifluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide
CID 44390714
N-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 9366247
2-phenoxy-N-(2-(thiophen-2-yl)-2-tosylethyl)acetamide
CID 16032086
3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 2525191
N-[2-(4-chlorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 9171522
3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 25162222
N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 155544180
Scp1-IN-1
CID 163196270
N-[2-(2-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 25161779
N-(2-(4-fluorophenoxy)ethyl)-3-(phenylthio)propanamide
CID 30865902
3-(phenylthio)-N-(2-(3-(trifluoromethyl)phenoxy)ethyl)propanamide
CID 30866011
2-(4-methoxyphenyl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 71684857

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
The IUPAC name of 2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide (CID 53257306) is 2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide.
What is the SMILES notation for 2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
The canonical SMILES for 2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide is CC(C)(C(=O)NCCOc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
The InChIKey is XNTAUFQRELDFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO4S/c1-18(2,17(24)23-12-13-27-15-6-4-3-5-7-15)28(25,26)16-10-8-14(9-11-16)19(20,21)22/h3-11H,12-13H2,1-2H3,(H,23,24).
What are the key properties of 2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide has a molecular weight of 415.43 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 53257306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).