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

C19H19Cl2N3OS — CID 4503106

IUPAC2,3-dichloro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C19H19Cl2N3OS/c20-14-8-6-7-13(17(14)21)18(25)23-19(26)22-15-9-2-3-10-16(15)24-11-4-1-5-12-24/h2-3,6-10H,1,4-5,11-12H2,(H2,22,23,25,26)
InChIKeyVOPUYCVMJRAPRN-UHFFFAOYSA-N
MW408.35 g/mol
LogP5.11
Rot. Bonds3

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

2,3-dichloro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide (PubChem CID 4503106) has the molecular formula C19H19Cl2N3OS and a molecular weight of 408.35 g/mol. Its IUPAC name is 2,3-dichloro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide
PubChem CID4503106
Molecular FormulaC19H19Cl2N3OS
Molecular Weight408.35 g/mol
Exact Mass407.06
IUPAC Name2,3-dichloro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C19H19Cl2N3OS/c20-14-8-6-7-13(17(14)21)18(25)23-19(26)22-15-9-2-3-10-16(15)24-11-4-1-5-12-24/h2-3,6-10H,1,4-5,11-12H2,(H2,22,23,25,26)
InChIKeyVOPUYCVMJRAPRN-UHFFFAOYSA-N
XLogP5.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.35
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-dichloro-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

Related Compounds

N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 1306047
4-iodo-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
CID 4502371
3,6-dichloro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
CID 17109749
N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
CID 3988371
2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 3890759
N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 1333473
2-chloro-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-4-methylbenzamide
CID 2219034
2-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 1308785
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 4937958
2,3-dichloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 4508991
N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide
CID 1009742
3-methyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide
CID 929617

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide (CID 4503106) is 2,3-dichloro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide?
The InChIKey is VOPUYCVMJRAPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3OS/c20-14-8-6-7-13(17(14)21)18(25)23-19(26)22-15-9-2-3-10-16(15)24-11-4-1-5-12-24/h2-3,6-10H,1,4-5,11-12H2,(H2,22,23,25,26).
What are the key properties of 2,3-dichloro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide?
2,3-dichloro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide has a molecular weight of 408.35 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 4503106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).