N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-(2-methylsulfonylethyl)-3,5-bis(trifluoromethyl)benzamide

C24H19F7N2O4S — CID 86670789

IUPACN-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-(2-methylsulfonylethyl)-3,5-bis(trifluoromethyl)benzamide
SMILESCOc1cc(F)ccc1-c1ccncc1N(CCS(C)(=O)=O)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H19F7N2O4S/c1-37-21-12-17(25)3-4-19(21)18-5-6-32-13-20(18)33(7-8-38(2,35)36)22(34)14-9-15(23(26,27)28)11-16(10-14)24(29,30)31/h3-6,9-13H,7-8H2,1-2H3
InChIKeyZRKCRXRXXMWCAS-UHFFFAOYSA-N
MW564.48 g/mol
LogP5.63
Rot. Bonds7

About N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-(2-methylsulfonylethyl)-3,5-bis(trifluoromethyl)benzamide

N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-(2-methylsulfonylethyl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 86670789) has the molecular formula C24H19F7N2O4S and a molecular weight of 564.48 g/mol. Its IUPAC name is N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-(2-methylsulfonylethyl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-(2-methylsulfonylethyl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID86670789
Molecular FormulaC24H19F7N2O4S
Molecular Weight564.48 g/mol
Exact Mass564.10
IUPAC NameN-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-(2-methylsulfonylethyl)-3,5-bis(trifluoromethyl)benzamide
SMILESCOc1cc(F)ccc1-c1ccncc1N(CCS(C)(=O)=O)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H19F7N2O4S/c1-37-21-12-17(25)3-4-19(21)18-5-6-32-13-20(18)33(7-8-38(2,35)36)22(34)14-9-15(23(26,27)28)11-16(10-14)24(29,30)31/h3-6,9-13H,7-8H2,1-2H3
InChIKeyZRKCRXRXXMWCAS-UHFFFAOYSA-N
XLogP5.63
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.48
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-(2-methylsulfonylethyl)-3,5-bis(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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-(2-methylsulfonylethyl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-(2-methylsulfonylethyl)-3,5-bis(trifluoromethyl)benzamide (CID 86670789) is N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-(2-methylsulfonylethyl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-(2-methylsulfonylethyl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-(2-methylsulfonylethyl)-3,5-bis(trifluoromethyl)benzamide is COc1cc(F)ccc1-c1ccncc1N(CCS(C)(=O)=O)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-(2-methylsulfonylethyl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is ZRKCRXRXXMWCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F7N2O4S/c1-37-21-12-17(25)3-4-19(21)18-5-6-32-13-20(18)33(7-8-38(2,35)36)22(34)14-9-15(23(26,27)28)11-16(10-14)24(29,30)31/h3-6,9-13H,7-8H2,1-2H3.
What are the key properties of N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-(2-methylsulfonylethyl)-3,5-bis(trifluoromethyl)benzamide?
N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-(2-methylsulfonylethyl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 564.48 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-(2-methylsulfonylethyl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 86670789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).