2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide

C26H28FN3O5S — CID 131989489

IUPAC2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccccn3)c(OC3CCCC3)n2)c1
InChIInChI=1S/C26H28FN3O5S/c1-17(2)16-34-21-14-18(13-19(27)15-21)23-11-10-22(26(29-23)35-20-7-3-4-8-20)25(31)30-36(32,33)24-9-5-6-12-28-24/h5-6,9-15,17,20H,3-4,7-8,16H2,1-2H3,(H,30,31)
InChIKeyMQRGTSBPSKMRFX-UHFFFAOYSA-N
MW513.59 g/mol
LogP4.76
Rot. Bonds9

About 2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide

2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide (PubChem CID 131989489) has the molecular formula C26H28FN3O5S and a molecular weight of 513.59 g/mol. Its IUPAC name is 2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide
PubChem CID131989489
Molecular FormulaC26H28FN3O5S
Molecular Weight513.59 g/mol
Exact Mass513.17
IUPAC Name2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccccn3)c(OC3CCCC3)n2)c1
InChIInChI=1S/C26H28FN3O5S/c1-17(2)16-34-21-14-18(13-19(27)15-21)23-11-10-22(26(29-23)35-20-7-3-4-8-20)25(31)30-36(32,33)24-9-5-6-12-28-24/h5-6,9-15,17,20H,3-4,7-8,16H2,1-2H3,(H,30,31)
InChIKeyMQRGTSBPSKMRFX-UHFFFAOYSA-N
XLogP4.76
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.59
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide with MolForge

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Related Compounds

US11020381, Example 64
CID 137525718
US11020381, Example 63
CID 137525780
US11020381, Example 113
CID 142537179
6-{[1-(4-Fluorobenzenesulfonyl)piperidin-4-YL]oxy}pyridine-3-carboxamide
CID 91904367
6-{[1-(5-Fluoro-2-methoxybenzenesulfonyl)piperidin-4-YL]oxy}pyridine-3-carboxamide
CID 91904370
4-fluoro-N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
CID 49835814
4-fluoro-N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
CID 54618697
4-fluoro-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
CID 54618698
4-fluoro-N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
CID 54618732
4-fluoro-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
CID 54618814
4-fluoro-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
CID 54618935
4-fluoro-N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
CID 54618946

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide?
The IUPAC name of 2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide (CID 131989489) is 2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide?
The canonical SMILES for 2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccccn3)c(OC3CCCC3)n2)c1.
What is the InChIKey of 2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide?
The InChIKey is MQRGTSBPSKMRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O5S/c1-17(2)16-34-21-14-18(13-19(27)15-21)23-11-10-22(26(29-23)35-20-7-3-4-8-20)25(31)30-36(32,33)24-9-5-6-12-28-24/h5-6,9-15,17,20H,3-4,7-8,16H2,1-2H3,(H,30,31).
What are the key properties of 2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide?
2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide has a molecular weight of 513.59 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 131989489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).