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

C23H20F4N2O3S — CID 70663247

IUPACN-[4-(5-fluoro-2-methylphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide
SMILESCc1cc(-c2cc(F)ccc2C)c(N(C)C(=O)c2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cn1
InChIInChI=1S/C23H20F4N2O3S/c1-13-5-6-17(24)11-19(13)20-7-14(2)28-12-21(20)29(3)22(30)15-8-16(23(25,26)27)10-18(9-15)33(4,31)32/h5-12H,1-4H3
InChIKeyFESCTIUDMKDQQL-UHFFFAOYSA-N
MW480.48 g/mol
LogP5.20
Rot. Bonds4

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

N-[4-(5-fluoro-2-methylphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide (PubChem CID 70663247) has the molecular formula C23H20F4N2O3S and a molecular weight of 480.48 g/mol. Its IUPAC name is N-[4-(5-fluoro-2-methylphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-2-methylphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide
PubChem CID70663247
Molecular FormulaC23H20F4N2O3S
Molecular Weight480.48 g/mol
Exact Mass480.11
IUPAC NameN-[4-(5-fluoro-2-methylphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide
SMILESCc1cc(-c2cc(F)ccc2C)c(N(C)C(=O)c2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cn1
InChIInChI=1S/C23H20F4N2O3S/c1-13-5-6-17(24)11-19(13)20-7-14(2)28-12-21(20)29(3)22(30)15-8-16(23(25,26)27)10-18(9-15)33(4,31)32/h5-12H,1-4H3
InChIKeyFESCTIUDMKDQQL-UHFFFAOYSA-N
XLogP5.20
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.48
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2-methylphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(5-fluoro-2-methylphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide (CID 70663247) is N-[4-(5-fluoro-2-methylphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(5-fluoro-2-methylphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(5-fluoro-2-methylphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide is Cc1cc(-c2cc(F)ccc2C)c(N(C)C(=O)c2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cn1.
What is the InChIKey of N-[4-(5-fluoro-2-methylphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide?
The InChIKey is FESCTIUDMKDQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N2O3S/c1-13-5-6-17(24)11-19(13)20-7-14(2)28-12-21(20)29(3)22(30)15-8-16(23(25,26)27)10-18(9-15)33(4,31)32/h5-12H,1-4H3.
What are the key properties of N-[4-(5-fluoro-2-methylphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide?
N-[4-(5-fluoro-2-methylphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide has a molecular weight of 480.48 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-2-methylphenyl)-6-methyl-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70663247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).