N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C18H19F3N2O4S — CID 55587041

IUPACN-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(COCC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-22-28(25,26)16-8-4-13(5-9-16)10-23-17(24)15-6-2-14(3-7-15)11-27-12-18(19,20)21/h2-9,22H,10-12H2,1H3,(H,23,24)
InChIKeyFFILUJMHOHAHPF-UHFFFAOYSA-N
MW416.42 g/mol
LogP2.60
Rot. Bonds8

About N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 55587041) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID55587041
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC NameN-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(COCC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-22-28(25,26)16-8-4-13(5-9-16)10-23-17(24)15-6-2-14(3-7-15)11-27-12-18(19,20)21/h2-9,22H,10-12H2,1H3,(H,23,24)
InChIKeyFFILUJMHOHAHPF-UHFFFAOYSA-N
XLogP2.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
CID 30177375
4-pyrrol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 55493467
4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55909885
3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 24599016
4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774274
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55660672
4-(prop-2-ynylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 33322312
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 30102866
4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 26445094
1-(4-sulfamoylphenyl)-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24650999
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
5-(methoxymethyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 86918391

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 55587041) is N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(COCC(F)(F)F)cc2)cc1.
What is the InChIKey of N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is FFILUJMHOHAHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-22-28(25,26)16-8-4-13(5-9-16)10-23-17(24)15-6-2-14(3-7-15)11-27-12-18(19,20)21/h2-9,22H,10-12H2,1H3,(H,23,24).
What are the key properties of N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 416.42 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 55587041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).