N-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide

C18H19F3N2O3S — CID 124733672

IUPACN-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide
SMILESCNC(=O)c1ccc(CS(=O)(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-12(15-4-3-5-16(10-15)18(19,20)21)23-27(25,26)11-13-6-8-14(9-7-13)17(24)22-2/h3-10,12,23H,11H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyLJMGZRHRYINCJF-GFCCVEGCSA-N
MW400.42 g/mol
LogP3.25
Rot. Bonds6

About N-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide

N-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide (PubChem CID 124733672) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide
PubChem CID124733672
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC NameN-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide
SMILESCNC(=O)c1ccc(CS(=O)(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-12(15-4-3-5-16(10-15)18(19,20)21)23-27(25,26)11-13-6-8-14(9-7-13)17(24)22-2/h3-10,12,23H,11H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyLJMGZRHRYINCJF-GFCCVEGCSA-N
XLogP3.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
CID 95733802
4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 41188273
4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide
CID 134106589
(2S)-N-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 94087753
N-methyl-4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 8700304
N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
CID 55590785
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010093
2-(4-ethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010094
4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide
CID 28620365
N-methyl-4-[[[N'-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111267064
sodium [4-(methylcarbamoyl)phenyl]methanesulfonate
CID 59940234

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide?
The IUPAC name of N-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide (CID 124733672) is N-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide.
What is the SMILES notation for N-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide?
The canonical SMILES for N-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide is CNC(=O)c1ccc(CS(=O)(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide?
The InChIKey is LJMGZRHRYINCJF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-12(15-4-3-5-16(10-15)18(19,20)21)23-27(25,26)11-13-6-8-14(9-7-13)17(24)22-2/h3-10,12,23H,11H2,1-2H3,(H,22,24)/t12-/m1/s1.
What are the key properties of N-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide?
N-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide has a molecular weight of 400.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide is sourced from PubChem (CID 124733672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).