2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(difluoromethoxy)-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide

C22H26F2N4O5S — CID 151821729

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(difluoromethoxy)-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide
SMILESO=C(Nc1cccc(OC(F)F)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C22H26F2N4O5S/c23-21(24)33-19-3-1-2-18(25-19)26-20(30)16-5-4-15(27-34(31,32)13-12-29)14-17(16)28-10-8-22(6-7-22)9-11-28/h1-5,14,21,27,29H,6-13H2,(H,25,26,30)
InChIKeySCTUPBONINYFST-UHFFFAOYSA-N
MW496.54 g/mol
LogP3.05
Rot. Bonds9

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(difluoromethoxy)-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(difluoromethoxy)-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide (PubChem CID 151821729) has the molecular formula C22H26F2N4O5S and a molecular weight of 496.54 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(difluoromethoxy)-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(difluoromethoxy)-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide
PubChem CID151821729
Molecular FormulaC22H26F2N4O5S
Molecular Weight496.54 g/mol
Exact Mass496.16
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(difluoromethoxy)-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide
SMILESO=C(Nc1cccc(OC(F)F)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C22H26F2N4O5S/c23-21(24)33-19-3-1-2-18(25-19)26-20(30)16-5-4-15(27-34(31,32)13-12-29)14-17(16)28-10-8-22(6-7-22)9-11-28/h1-5,14,21,27,29H,6-13H2,(H,25,26,30)
InChIKeySCTUPBONINYFST-UHFFFAOYSA-N
XLogP3.05
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)pyridin-2-yl]benzamide
CID 151837327
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[6-(3,3,3-trifluoropropoxy)pyridin-2-yl]benzamide
CID 153625017
2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)pyridin-2-yl]benzamide
CID 153625058
US11236069, Example 11-60
CID 147066920
US11236069, Example 11-59
CID 147717986
US11236069, Example 6-36
CID 148886282
2-(6-azaspiro[2.5]octan-6-yl)-N-[5-cyano-6-(4,4-difluoropiperidin-1-yl)pyridin-2-yl]-4-(2-hydroxyethylsulfonylamino)benzamide
CID 152711783
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]benzamide
CID 153624982
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(cyclopropylmethoxy)-2-pyridinyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide
CID 153624990
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-(3,3,3-trifluoropropoxy)pyridin-2-yl]benzamide
CID 153625019
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-(4,4,4-trifluoro-3-hydroxybutoxy)-2-pyridinyl]benzamide
CID 153625042
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[4-methyl-6-(3,3,3-trifluoropropoxy)pyridin-2-yl]benzamide
CID 153625060

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(difluoromethoxy)-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(difluoromethoxy)-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide (CID 151821729) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(difluoromethoxy)-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(difluoromethoxy)-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(difluoromethoxy)-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide is O=C(Nc1cccc(OC(F)F)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(difluoromethoxy)-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide?
The InChIKey is SCTUPBONINYFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O5S/c23-21(24)33-19-3-1-2-18(25-19)26-20(30)16-5-4-15(27-34(31,32)13-12-29)14-17(16)28-10-8-22(6-7-22)9-11-28/h1-5,14,21,27,29H,6-13H2,(H,25,26,30).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(difluoromethoxy)-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(difluoromethoxy)-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide has a molecular weight of 496.54 g/mol, XLogP of 3.05, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(difluoromethoxy)-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)benzamide is sourced from PubChem (CID 151821729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).