N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C18H20F3NO3S — CID 71810545

IUPACN-[2-methoxy-2-(2-methylphenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1C
InChIInChI=1S/C18H20F3NO3S/c1-13-5-3-4-6-16(13)17(25-2)11-22-26(23,24)12-14-7-9-15(10-8-14)18(19,20)21/h3-10,17,22H,11-12H2,1-2H3
InChIKeyTZGHFQLATUPKAT-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.82
Rot. Bonds7

About N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 71810545) has the molecular formula C18H20F3NO3S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID71810545
Molecular FormulaC18H20F3NO3S
Molecular Weight387.42 g/mol
Exact Mass387.11
IUPAC NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1C
InChIInChI=1S/C18H20F3NO3S/c1-13-5-3-4-6-16(13)17(25-2)11-22-26(23,24)12-14-7-9-15(10-8-14)18(19,20)21/h3-10,17,22H,11-12H2,1-2H3
InChIKeyTZGHFQLATUPKAT-UHFFFAOYSA-N
XLogP3.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 71810545) is N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is COC(CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1C.
What is the InChIKey of N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is TZGHFQLATUPKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO3S/c1-13-5-3-4-6-16(13)17(25-2)11-22-26(23,24)12-14-7-9-15(10-8-14)18(19,20)21/h3-10,17,22H,11-12H2,1-2H3.
What are the key properties of N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 387.42 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 71810545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).