2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide

C20H23N3O2S — CID 1306211

IUPAC2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=S)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C20H23N3O2S/c1-25-18-12-6-3-9-15(18)19(24)22-20(26)21-16-10-4-5-11-17(16)23-13-7-2-8-14-23/h3-6,9-12H,2,7-8,13-14H2,1H3,(H2,21,22,24,26)
InChIKeyXBARDXREAOSKED-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.81
Rot. Bonds4

About 2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide

2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide (PubChem CID 1306211) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide
PubChem CID1306211
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=S)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C20H23N3O2S/c1-25-18-12-6-3-9-15(18)19(24)22-20(26)21-16-10-4-5-11-17(16)23-13-7-2-8-14-23/h3-6,9-12H,2,7-8,13-14H2,1H3,(H2,21,22,24,26)
InChIKeyXBARDXREAOSKED-UHFFFAOYSA-N
XLogP3.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide (CID 1306211) is 2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide is COc1ccccc1C(=O)NC(=S)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide?
The InChIKey is XBARDXREAOSKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-25-18-12-6-3-9-15(18)19(24)22-20(26)21-16-10-4-5-11-17(16)23-13-7-2-8-14-23/h3-6,9-12H,2,7-8,13-14H2,1H3,(H2,21,22,24,26).
What are the key properties of 2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide?
2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide has a molecular weight of 369.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 1306211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).