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

C23H20F4N2O4S — CID 70663183

IUPACN-[4-(4-fluoro-2-methoxyphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide
SMILESCOc1cc(F)ccc1-c1cc(C)ncc1N(C)C(=O)c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1
InChIInChI=1S/C23H20F4N2O4S/c1-13-7-19(18-6-5-16(24)11-21(18)33-3)20(12-28-13)29(2)22(30)14-8-15(23(25,26)27)10-17(9-14)34(4,31)32/h5-12H,1-4H3
InChIKeyPGIPTGVWYZTFRS-UHFFFAOYSA-N
MW496.48 g/mol
LogP4.90
Rot. Bonds5

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

N-[4-(4-fluoro-2-methoxyphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide (PubChem CID 70663183) has the molecular formula C23H20F4N2O4S and a molecular weight of 496.48 g/mol. Its IUPAC name is N-[4-(4-fluoro-2-methoxyphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-2-methoxyphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide
PubChem CID70663183
Molecular FormulaC23H20F4N2O4S
Molecular Weight496.48 g/mol
Exact Mass496.11
IUPAC NameN-[4-(4-fluoro-2-methoxyphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide
SMILESCOc1cc(F)ccc1-c1cc(C)ncc1N(C)C(=O)c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1
InChIInChI=1S/C23H20F4N2O4S/c1-13-7-19(18-6-5-16(24)11-21(18)33-3)20(12-28-13)29(2)22(30)14-8-15(23(25,26)27)10-17(9-14)34(4,31)32/h5-12H,1-4H3
InChIKeyPGIPTGVWYZTFRS-UHFFFAOYSA-N
XLogP4.90
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-2-methoxyphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(4-fluoro-2-methoxyphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide (CID 70663183) is N-[4-(4-fluoro-2-methoxyphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(4-fluoro-2-methoxyphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(4-fluoro-2-methoxyphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide is COc1cc(F)ccc1-c1cc(C)ncc1N(C)C(=O)c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1.
What is the InChIKey of N-[4-(4-fluoro-2-methoxyphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide?
The InChIKey is PGIPTGVWYZTFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N2O4S/c1-13-7-19(18-6-5-16(24)11-21(18)33-3)20(12-28-13)29(2)22(30)14-8-15(23(25,26)27)10-17(9-14)34(4,31)32/h5-12H,1-4H3.
What are the key properties of N-[4-(4-fluoro-2-methoxyphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide?
N-[4-(4-fluoro-2-methoxyphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide has a molecular weight of 496.48 g/mol, XLogP of 4.90, 5 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)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70663183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).