N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide

C20H22N2OS — CID 22573759

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C20H22N2OS/c23-20(21-17-12-15-10-11-22(13-15)14-17)16-6-8-19(9-7-16)24-18-4-2-1-3-5-18/h1-9,15,17H,10-14H2,(H,21,23)
InChIKeyNQWTVRDAFLWWGA-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.66
Rot. Bonds4

About N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide (PubChem CID 22573759) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide
PubChem CID22573759
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C20H22N2OS/c23-20(21-17-12-15-10-11-22(13-15)14-17)16-6-8-19(9-7-16)24-18-4-2-1-3-5-18/h1-9,15,17H,10-14H2,(H,21,23)
InChIKeyNQWTVRDAFLWWGA-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide 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

3-[4-(1-azabicyclo[3.2.2]nonan-3-ylcarbamoyl)phenyl]sulfanylbenzamide
CID 22573271
4-(4-aminophenyl)sulfanyl-N-(1-azabicyclo[3.2.2]nonan-3-yl)benzamide
CID 22573724
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 22573515
N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide
CID 22573621
N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(3H-1,2-thiazol-2-ylsulfanyl)benzamide
CID 22573639
N-(1-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 22313423
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
CID 10308194
N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide
CID 22481709
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide
CID 22481716
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 22573531
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide
CID 22565805
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(4-methylfuran-2-yl)oxybenzamide
CID 22573755

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide (CID 22573759) is N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide is O=C(NC1CC2CCN(C2)C1)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide?
The InChIKey is NQWTVRDAFLWWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c23-20(21-17-12-15-10-11-22(13-15)14-17)16-6-8-19(9-7-16)24-18-4-2-1-3-5-18/h1-9,15,17H,10-14H2,(H,21,23).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide has a molecular weight of 338.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide is sourced from PubChem (CID 22573759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).