N-[[6-methyl-4-(2-phenylmethoxyphenyl)-3-pyridinyl]methyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide

C29H25F3N2O4S — CID 123365682

IUPACN-[[6-methyl-4-(2-phenylmethoxyphenyl)-3-pyridinyl]methyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide
SMILESCc1cc(-c2ccccc2OCc2ccccc2)c(CNC(=O)c2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cn1
InChIInChI=1S/C29H25F3N2O4S/c1-19-12-26(25-10-6-7-11-27(25)38-18-20-8-4-3-5-9-20)22(16-33-19)17-34-28(35)21-13-23(29(30,31)32)15-24(14-21)39(2,36)37/h3-16H,17-18H2,1-2H3,(H,34,35)
InChIKeyNGNCKQVAQIPTOJ-UHFFFAOYSA-N
MW554.59 g/mol
LogP5.99
Rot. Bonds8

About N-[[6-methyl-4-(2-phenylmethoxyphenyl)-3-pyridinyl]methyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide

N-[[6-methyl-4-(2-phenylmethoxyphenyl)-3-pyridinyl]methyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide (PubChem CID 123365682) has the molecular formula C29H25F3N2O4S and a molecular weight of 554.59 g/mol. Its IUPAC name is N-[[6-methyl-4-(2-phenylmethoxyphenyl)-3-pyridinyl]methyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[6-methyl-4-(2-phenylmethoxyphenyl)-3-pyridinyl]methyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide
PubChem CID123365682
Molecular FormulaC29H25F3N2O4S
Molecular Weight554.59 g/mol
Exact Mass554.15
IUPAC NameN-[[6-methyl-4-(2-phenylmethoxyphenyl)-3-pyridinyl]methyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide
SMILESCc1cc(-c2ccccc2OCc2ccccc2)c(CNC(=O)c2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cn1
InChIInChI=1S/C29H25F3N2O4S/c1-19-12-26(25-10-6-7-11-27(25)38-18-20-8-4-3-5-9-20)22(16-33-19)17-34-28(35)21-13-23(29(30,31)32)15-24(14-21)39(2,36)37/h3-16H,17-18H2,1-2H3,(H,34,35)
InChIKeyNGNCKQVAQIPTOJ-UHFFFAOYSA-N
XLogP5.99
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.59
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-methyl-4-(2-phenylmethoxyphenyl)-3-pyridinyl]methyl]-3-methylsulfonyl-5-(trifluoromethyl)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-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
CID 44475063
(S)-(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)(5-(pyridin-4-yl)isoindolin-2-yl)methanone
CID 11518805
N-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)quinoline-3-carboxamide
CID 46225114
N-ethyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)quinoline-3-carboxamide
CID 46225115
(S)-(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)(5-(pyridin-2-yl)isoindolin-2-yl)methanone
CID 53317349
(2-(benzyloxy)-5-(methylsulfonyl)phenyl)(3-(trifluoromethyl)-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)methanone
CID 53319906
(S)-(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)(6-(trifluoromethyl)-1H-pyrrolo[3,4-c]pyridin-2(3H)-yl)methanone
CID 53319952
4-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
CID 56593345
3-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 78319129
1-methyl-3-(5-methylsulfonyl-2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one
CID 90417643
4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-methylsulfonylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405378
4-[2-(4,4-difluorocyclohexyl)oxy-5-ethylsulfonylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 89656315

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-4-(2-phenylmethoxyphenyl)-3-pyridinyl]methyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[[6-methyl-4-(2-phenylmethoxyphenyl)-3-pyridinyl]methyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide (CID 123365682) is N-[[6-methyl-4-(2-phenylmethoxyphenyl)-3-pyridinyl]methyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[6-methyl-4-(2-phenylmethoxyphenyl)-3-pyridinyl]methyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[6-methyl-4-(2-phenylmethoxyphenyl)-3-pyridinyl]methyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide is Cc1cc(-c2ccccc2OCc2ccccc2)c(CNC(=O)c2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cn1.
What is the InChIKey of N-[[6-methyl-4-(2-phenylmethoxyphenyl)-3-pyridinyl]methyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide?
The InChIKey is NGNCKQVAQIPTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N2O4S/c1-19-12-26(25-10-6-7-11-27(25)38-18-20-8-4-3-5-9-20)22(16-33-19)17-34-28(35)21-13-23(29(30,31)32)15-24(14-21)39(2,36)37/h3-16H,17-18H2,1-2H3,(H,34,35).
What are the key properties of N-[[6-methyl-4-(2-phenylmethoxyphenyl)-3-pyridinyl]methyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide?
N-[[6-methyl-4-(2-phenylmethoxyphenyl)-3-pyridinyl]methyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide has a molecular weight of 554.59 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-4-(2-phenylmethoxyphenyl)-3-pyridinyl]methyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 123365682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).