N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide

C25H25F3N2O5S — CID 56969936

IUPACN-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide
SMILESCc1ccc(C)c(COc2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C25H25F3N2O5S/c1-16-5-6-17(2)19(13-16)15-34-23-14-20(9-12-22(23)30(3)36(4,32)33)29-24(31)18-7-10-21(11-8-18)35-25(26,27)28/h5-14H,15H2,1-4H3,(H,29,31)
InChIKeyARSWWXZHLVDKMV-UHFFFAOYSA-N
MW522.55 g/mol
LogP5.43
Rot. Bonds8

About N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide

N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 56969936) has the molecular formula C25H25F3N2O5S and a molecular weight of 522.55 g/mol. Its IUPAC name is N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide
PubChem CID56969936
Molecular FormulaC25H25F3N2O5S
Molecular Weight522.55 g/mol
Exact Mass522.14
IUPAC NameN-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide
SMILESCc1ccc(C)c(COc2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C25H25F3N2O5S/c1-16-5-6-17(2)19(13-16)15-34-23-14-20(9-12-22(23)30(3)36(4,32)33)29-24(31)18-7-10-21(11-8-18)35-25(26,27)28/h5-14H,15H2,1-4H3,(H,29,31)
InChIKeyARSWWXZHLVDKMV-UHFFFAOYSA-N
XLogP5.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.55
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide
CID 56969934
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide
CID 56970146
N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide
CID 71747642
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 4280881
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[6-hydroxyhexyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 57385284
N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 71747643
N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide
CID 57385283
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
[4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate
CID 3848312
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 5134597
N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 55891215
N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
CID 122297980

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide (CID 56969936) is N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide is Cc1ccc(C)c(COc2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc2N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is ARSWWXZHLVDKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O5S/c1-16-5-6-17(2)19(13-16)15-34-23-14-20(9-12-22(23)30(3)36(4,32)33)29-24(31)18-7-10-21(11-8-18)35-25(26,27)28/h5-14H,15H2,1-4H3,(H,29,31).
What are the key properties of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide?
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 522.55 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 56969936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).