N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide

C22H19F3N2O3S — CID 20850239

IUPACN-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESCS(=O)(=O)c1ccc(CN(Cc2ccccn2)C(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H19F3N2O3S/c1-31(29,30)20-11-5-16(6-12-20)14-27(15-19-4-2-3-13-26-19)21(28)17-7-9-18(10-8-17)22(23,24)25/h2-13H,14-15H2,1H3
InChIKeyWOGHYCMCXQMABJ-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.35
Rot. Bonds6

About N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide

N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide (PubChem CID 20850239) has the molecular formula C22H19F3N2O3S and a molecular weight of 448.47 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide
PubChem CID20850239
Molecular FormulaC22H19F3N2O3S
Molecular Weight448.47 g/mol
Exact Mass448.11
IUPAC NameN-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESCS(=O)(=O)c1ccc(CN(Cc2ccccn2)C(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H19F3N2O3S/c1-31(29,30)20-11-5-16(6-12-20)14-27(15-19-4-2-3-13-26-19)21(28)17-7-9-18(10-8-17)22(23,24)25/h2-13H,14-15H2,1H3
InChIKeyWOGHYCMCXQMABJ-UHFFFAOYSA-N
XLogP4.35
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 42479899
4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide
CID 50948158
N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698347
3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 105095584
2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 75379624
ethyl 4-[[2-pyridin-2-ylethyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]amino]benzoate
CID 42696075
N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine
CID 50980184
4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084436
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 42165859
N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide
CID 60590914
N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 121126866
2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide
CID 50944930

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide (CID 20850239) is N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide is CS(=O)(=O)c1ccc(CN(Cc2ccccn2)C(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is WOGHYCMCXQMABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3S/c1-31(29,30)20-11-5-16(6-12-20)14-27(15-19-4-2-3-13-26-19)21(28)17-7-9-18(10-8-17)22(23,24)25/h2-13H,14-15H2,1H3.
What are the key properties of N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide?
N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 448.47 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 20850239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).