2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide

C20H23N3O5S — CID 121186296

IUPAC2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2C3CCC2CC(Oc2cccnc2)C3)cc1C(N)=O
InChIInChI=1S/C20H23N3O5S/c1-27-19-7-6-17(11-18(19)20(21)24)29(25,26)23-13-4-5-14(23)10-16(9-13)28-15-3-2-8-22-12-15/h2-3,6-8,11-14,16H,4-5,9-10H2,1H3,(H2,21,24)
InChIKeyUUUOTMJEWATLIM-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.95
Rot. Bonds6

About 2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide

2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide (PubChem CID 121186296) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide
PubChem CID121186296
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2C3CCC2CC(Oc2cccnc2)C3)cc1C(N)=O
InChIInChI=1S/C20H23N3O5S/c1-27-19-7-6-17(11-18(19)20(21)24)29(25,26)23-13-4-5-14(23)10-16(9-13)28-15-3-2-8-22-12-15/h2-3,6-8,11-14,16H,4-5,9-10H2,1H3,(H2,21,24)
InChIKeyUUUOTMJEWATLIM-UHFFFAOYSA-N
XLogP1.95
TPSA111.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide with MolForge

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Related Compounds

8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186274
8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186224
8-(4-ethoxy-3-fluorophenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186259
2-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185936
8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186745
5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide
CID 138988318
(1S,5S)-3-pyridin-3-yloxy-8-(2,3,5,6-tetramethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 129357348
2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 119103733
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186209
8-(5-chloro-2-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186250
2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide
CID 155801171
(1S,5S)-8-(2-chlorophenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 129357632

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide?
The IUPAC name of 2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide (CID 121186296) is 2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide.
What is the SMILES notation for 2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide?
The canonical SMILES for 2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide is COc1ccc(S(=O)(=O)N2C3CCC2CC(Oc2cccnc2)C3)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide?
The InChIKey is UUUOTMJEWATLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-27-19-7-6-17(11-18(19)20(21)24)29(25,26)23-13-4-5-14(23)10-16(9-13)28-15-3-2-8-22-12-15/h2-3,6-8,11-14,16H,4-5,9-10H2,1H3,(H2,21,24).
What are the key properties of 2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide?
2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide has a molecular weight of 417.49 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide is sourced from PubChem (CID 121186296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).