4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide

C19H21N3OS — CID 22573762

IUPAC4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
SMILESNc1ccc(Sc2ccc(C(=O)NC3CC4CNC3C4)cc2)cc1
InChIInChI=1S/C19H21N3OS/c20-14-3-7-16(8-4-14)24-15-5-1-13(2-6-15)19(23)22-18-10-12-9-17(18)21-11-12/h1-8,12,17-18,21H,9-11,20H2,(H,22,23)
InChIKeyLOECEBZVTCXANV-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.90
Rot. Bonds4

About 4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide

4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide (PubChem CID 22573762) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
PubChem CID22573762
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
SMILESNc1ccc(Sc2ccc(C(=O)NC3CC4CNC3C4)cc2)cc1
InChIInChI=1S/C19H21N3OS/c20-14-3-7-16(8-4-14)24-15-5-1-13(2-6-15)19(23)22-18-10-12-9-17(18)21-11-12/h1-8,12,17-18,21H,9-11,20H2,(H,22,23)
InChIKeyLOECEBZVTCXANV-UHFFFAOYSA-N
XLogP2.90
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)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-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
CID 22573369
4-(4-acetamidophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
CID 22573526
N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide
CID 22573441
N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(2-methoxyphenyl)sulfanylbenzamide
CID 22573263
4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
CID 22573564
N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide
CID 98096202
3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide
CID 22573467
N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide
CID 10214645
N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide
CID 10125410
4-(4-aminophenyl)sulfanyl-N-(1-azabicyclo[3.2.2]nonan-3-yl)benzamide
CID 22573724
N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide
CID 10171612
N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-a]pyridine-7-carboxamide
CID 99719092

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide?
The IUPAC name of 4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide (CID 22573762) is 4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide.
What is the SMILES notation for 4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide?
The canonical SMILES for 4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide is Nc1ccc(Sc2ccc(C(=O)NC3CC4CNC3C4)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide?
The InChIKey is LOECEBZVTCXANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c20-14-3-7-16(8-4-14)24-15-5-1-13(2-6-15)19(23)22-18-10-12-9-17(18)21-11-12/h1-8,12,17-18,21H,9-11,20H2,(H,22,23).
What are the key properties of 4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide?
4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide has a molecular weight of 339.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide is sourced from PubChem (CID 22573762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).