N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

C18H18F3NO4S — CID 38075020

IUPACN-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C18H18F3NO4S/c1-22(11-15-5-3-4-6-16(15)26-18(19,20)21)17(23)14-9-7-13(8-10-14)12-27(2,24)25/h3-10H,11-12H2,1-2H3
InChIKeyPSEXHCGGIHWZSG-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.40
Rot. Bonds6

About N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 38075020) has the molecular formula C18H18F3NO4S and a molecular weight of 401.41 g/mol. Its IUPAC name is N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID38075020
Molecular FormulaC18H18F3NO4S
Molecular Weight401.41 g/mol
Exact Mass401.09
IUPAC NameN-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C18H18F3NO4S/c1-22(11-15-5-3-4-6-16(15)26-18(19,20)21)17(23)14-9-7-13(8-10-14)12-27(2,24)25/h3-10H,11-12H2,1-2H3
InChIKeyPSEXHCGGIHWZSG-UHFFFAOYSA-N
XLogP3.40
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38075934
N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38076715
3-(dimethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38072733
N,2-dimethyl-1-methylsulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 46420837
3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52560868
5-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 55550717
N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 134047601
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38258141
N-methyl-3-(4-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 55550183
3-methoxy-N-methyl-4-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 46539241
4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38074784
N-methyl-2-(4-methylphenyl)-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 47021295

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 38075020) is N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is PSEXHCGGIHWZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4S/c1-22(11-15-5-3-4-6-16(15)26-18(19,20)21)17(23)14-9-7-13(8-10-14)12-27(2,24)25/h3-10H,11-12H2,1-2H3.
What are the key properties of N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 401.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 38075020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).