N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide

C18H22N4O2S — CID 10291907

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide
SMILESCOc1ncc(Sc2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc2)[nH]1
InChIInChI=1S/C18H22N4O2S/c1-24-18-19-10-16(21-18)25-14-4-2-13(3-5-14)17(23)20-15-11-22-8-6-12(15)7-9-22/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,21)(H,20,23)/t15-/m0/s1
InChIKeyQHEIGBVLNHZEOI-HNNXBMFYSA-N
MW358.47 g/mol
LogP2.39
Rot. Bonds5

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide (PubChem CID 10291907) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide
PubChem CID10291907
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide
SMILESCOc1ncc(Sc2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc2)[nH]1
InChIInChI=1S/C18H22N4O2S/c1-24-18-19-10-16(21-18)25-14-4-2-13(3-5-14)17(23)20-15-11-22-8-6-12(15)7-9-22/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,21)(H,20,23)/t15-/m0/s1
InChIKeyQHEIGBVLNHZEOI-HNNXBMFYSA-N
XLogP2.39
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6-acetyl-3-pyridinyl)sulfanyl]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 18337451
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1H-pyrrol-2-yl)sulfanyl]benzamide
CID 18383812
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-methoxyphenyl)sulfanylbenzamide
CID 22045891
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(4-chlorophenyl)sulfanylbenzamide
CID 22045877
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3,4-oxadiazol-2-ylsulfanyl)benzamide
CID 18383636
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide
CID 5136899
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-chlorophenyl)sulfanylbenzamide
CID 18383684
4-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)phenyl]-3-methoxybenzoic acid
CID 131929147
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(iodomethylsulfanyl)benzamide
CID 89102396
4-(5-acetylfuran-2-yl)sulfanyl-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383861
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)-4-[5-(trifluoromethyl)thiophen-2-yl]sulfanylbenzamide
CID 18399885

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide (CID 10291907) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide is COc1ncc(Sc2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc2)[nH]1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide?
The InChIKey is QHEIGBVLNHZEOI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-24-18-19-10-16(21-18)25-14-4-2-13(3-5-14)17(23)20-15-11-22-8-6-12(15)7-9-22/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,21)(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide has a molecular weight of 358.47 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide is sourced from PubChem (CID 10291907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).