N-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide

C24H21F3N2O4S — CID 68909497

IUPACN-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide
SMILESCC(=O)NC(=O)c1cc(C)c(C(C)(CS(=O)(=O)c2ccc(F)cc2)c2cc(F)ccc2F)cn1
InChIInChI=1S/C24H21F3N2O4S/c1-14-10-22(23(31)29-15(2)30)28-12-20(14)24(3,19-11-17(26)6-9-21(19)27)13-34(32,33)18-7-4-16(25)5-8-18/h4-12H,13H2,1-3H3,(H,29,30,31)
InChIKeyMNAPLWGIDIRKBP-UHFFFAOYSA-N
MW490.50 g/mol
LogP3.86
Rot. Bonds6

About N-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide

N-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide (PubChem CID 68909497) has the molecular formula C24H21F3N2O4S and a molecular weight of 490.50 g/mol. Its IUPAC name is N-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide
PubChem CID68909497
Molecular FormulaC24H21F3N2O4S
Molecular Weight490.50 g/mol
Exact Mass490.12
IUPAC NameN-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide
SMILESCC(=O)NC(=O)c1cc(C)c(C(C)(CS(=O)(=O)c2ccc(F)cc2)c2cc(F)ccc2F)cn1
InChIInChI=1S/C24H21F3N2O4S/c1-14-10-22(23(31)29-15(2)30)28-12-20(14)24(3,19-11-17(26)6-9-21(19)27)13-34(32,33)18-7-4-16(25)5-8-18/h4-12H,13H2,1-3H3,(H,29,30,31)
InChIKeyMNAPLWGIDIRKBP-UHFFFAOYSA-N
XLogP3.86
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide?
The IUPAC name of N-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide (CID 68909497) is N-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide.
What is the SMILES notation for N-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide?
The canonical SMILES for N-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide is CC(=O)NC(=O)c1cc(C)c(C(C)(CS(=O)(=O)c2ccc(F)cc2)c2cc(F)ccc2F)cn1.
What is the InChIKey of N-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide?
The InChIKey is MNAPLWGIDIRKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O4S/c1-14-10-22(23(31)29-15(2)30)28-12-20(14)24(3,19-11-17(26)6-9-21(19)27)13-34(32,33)18-7-4-16(25)5-8-18/h4-12H,13H2,1-3H3,(H,29,30,31).
What are the key properties of N-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide?
N-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide has a molecular weight of 490.50 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 68909497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).