N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoro-2-spiro[2.5]octan-6-ylpyridine-3-carboxamide

C24H30FN3O3S — CID 155781265

IUPACN-[3-(tert-butylsulfamoyl)phenyl]-6-fluoro-2-spiro[2.5]octan-6-ylpyridine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(F)nc2C2CCC3(CC2)CC3)c1
InChIInChI=1S/C24H30FN3O3S/c1-23(2,3)28-32(30,31)18-6-4-5-17(15-18)26-22(29)19-7-8-20(25)27-21(19)16-9-11-24(12-10-16)13-14-24/h4-8,15-16,28H,9-14H2,1-3H3,(H,26,29)
InChIKeyJHAOGHFIZAACHG-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.99
Rot. Bonds5

About N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoro-2-spiro[2.5]octan-6-ylpyridine-3-carboxamide

N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoro-2-spiro[2.5]octan-6-ylpyridine-3-carboxamide (PubChem CID 155781265) has the molecular formula C24H30FN3O3S and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoro-2-spiro[2.5]octan-6-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)phenyl]-6-fluoro-2-spiro[2.5]octan-6-ylpyridine-3-carboxamide
PubChem CID155781265
Molecular FormulaC24H30FN3O3S
Molecular Weight459.59 g/mol
Exact Mass459.20
IUPAC NameN-[3-(tert-butylsulfamoyl)phenyl]-6-fluoro-2-spiro[2.5]octan-6-ylpyridine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(F)nc2C2CCC3(CC2)CC3)c1
InChIInChI=1S/C24H30FN3O3S/c1-23(2,3)28-32(30,31)18-6-4-5-17(15-18)26-22(29)19-7-8-20(25)27-21(19)16-9-11-24(12-10-16)13-14-24/h4-8,15-16,28H,9-14H2,1-3H3,(H,26,29)
InChIKeyJHAOGHFIZAACHG-UHFFFAOYSA-N
XLogP4.99
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyridine-3-carboxamide
CID 155781286
3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazine-2-carboxamide
CID 155781115
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide
CID 155780813
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(1-methylimidazol-2-yl)benzamide
CID 155780864
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylamino)sulfanylphenyl]-6-fluoropyridine-3-carboxamide
CID 155781222
2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide
CID 26579182
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 51295136
4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
CID 25445720
N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 39736173
N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33206224
N-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26115917
N-[3-(tert-butylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 52577954

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoro-2-spiro[2.5]octan-6-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoro-2-spiro[2.5]octan-6-ylpyridine-3-carboxamide (CID 155781265) is N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoro-2-spiro[2.5]octan-6-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoro-2-spiro[2.5]octan-6-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoro-2-spiro[2.5]octan-6-ylpyridine-3-carboxamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(F)nc2C2CCC3(CC2)CC3)c1.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoro-2-spiro[2.5]octan-6-ylpyridine-3-carboxamide?
The InChIKey is JHAOGHFIZAACHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3S/c1-23(2,3)28-32(30,31)18-6-4-5-17(15-18)26-22(29)19-7-8-20(25)27-21(19)16-9-11-24(12-10-16)13-14-24/h4-8,15-16,28H,9-14H2,1-3H3,(H,26,29).
What are the key properties of N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoro-2-spiro[2.5]octan-6-ylpyridine-3-carboxamide?
N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoro-2-spiro[2.5]octan-6-ylpyridine-3-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoro-2-spiro[2.5]octan-6-ylpyridine-3-carboxamide is sourced from PubChem (CID 155781265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).