N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide

C20H23N3O4S — CID 18383961

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide
SMILESNS(=O)(=O)c1ccccc1Oc1ccc(C(=O)NC2CN3CCC2CC3)cc1
InChIInChI=1S/C20H23N3O4S/c21-28(25,26)19-4-2-1-3-18(19)27-16-7-5-15(6-8-16)20(24)22-17-13-23-11-9-14(17)10-12-23/h1-8,14,17H,9-13H2,(H,22,24)(H2,21,25,26)
InChIKeyITTDTTWGRWARQI-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.95
Rot. Bonds5

About N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide (PubChem CID 18383961) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide
PubChem CID18383961
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide
SMILESNS(=O)(=O)c1ccccc1Oc1ccc(C(=O)NC2CN3CCC2CC3)cc1
InChIInChI=1S/C20H23N3O4S/c21-28(25,26)19-4-2-1-3-18(19)27-16-7-5-15(6-8-16)20(24)22-17-13-23-11-9-14(17)10-12-23/h1-8,14,17H,9-13H2,(H,22,24)(H2,21,25,26)
InChIKeyITTDTTWGRWARQI-UHFFFAOYSA-N
XLogP1.95
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
3-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenoxy]benzamide
CID 18337457
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxyphenoxy)benzamide
CID 10154995
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3,4-oxadiazol-2-yloxy)benzamide
CID 18383462
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methoxy-1,3,4-oxadiazol-2-yl)oxy]benzamide
CID 18383923
4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383494
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide
CID 22573492
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide
CID 10471783
4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383723
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide
CID 18383743

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide (CID 18383961) is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide is NS(=O)(=O)c1ccccc1Oc1ccc(C(=O)NC2CN3CCC2CC3)cc1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide?
The InChIKey is ITTDTTWGRWARQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c21-28(25,26)19-4-2-1-3-18(19)27-16-7-5-15(6-8-16)20(24)22-17-13-23-11-9-14(17)10-12-23/h1-8,14,17H,9-13H2,(H,22,24)(H2,21,25,26).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide has a molecular weight of 401.49 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide is sourced from PubChem (CID 18383961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).