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

C20H23N3O2S — CID 1307323

IUPAC3-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide
SMILESCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C20H23N3O2S/c1-25-16-9-7-8-15(14-16)19(24)22-20(26)21-17-10-3-4-11-18(17)23-12-5-2-6-13-23/h3-4,7-11,14H,2,5-6,12-13H2,1H3,(H2,21,22,24,26)
InChIKeyYKOZBEJOEQUQNE-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.81
Rot. Bonds4

About 3-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide

3-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide (PubChem CID 1307323) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide
PubChem CID1307323
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name3-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide
SMILESCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C20H23N3O2S/c1-25-16-9-7-8-15(14-16)19(24)22-20(26)21-17-10-3-4-11-18(17)23-12-5-2-6-13-23/h3-4,7-11,14H,2,5-6,12-13H2,1H3,(H2,21,22,24,26)
InChIKeyYKOZBEJOEQUQNE-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 3-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 3-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide?
The IUPAC name of 3-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide (CID 1307323) is 3-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide is COc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1.
What is the InChIKey of 3-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide?
The InChIKey is YKOZBEJOEQUQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-25-16-9-7-8-15(14-16)19(24)22-20(26)21-17-10-3-4-11-18(17)23-12-5-2-6-13-23/h3-4,7-11,14H,2,5-6,12-13H2,1H3,(H2,21,22,24,26).
What are the key properties of 3-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide?
3-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 3-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 1307323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).