4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

C20H26ClN3OS — CID 119448902

IUPAC4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C20H25N3OS.ClH/c24-20(22-12-15-23-13-10-21-11-14-23)18-8-6-17(7-9-18)16-25-19-4-2-1-3-5-19;/h1-9,21H,10-16H2,(H,22,24);1H
InChIKeyMHOVIJKKHZGEQS-UHFFFAOYSA-N
MW391.97 g/mol
LogP3.04
Rot. Bonds7

About 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119448902) has the molecular formula C20H26ClN3OS and a molecular weight of 391.97 g/mol. Its IUPAC name is 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119448902
Molecular FormulaC20H26ClN3OS
Molecular Weight391.97 g/mol
Exact Mass391.15
IUPAC Name4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C20H25N3OS.ClH/c24-20(22-12-15-23-13-10-21-11-14-23)18-8-6-17(7-9-18)16-25-19-4-2-1-3-5-19;/h1-9,21H,10-16H2,(H,22,24);1H
InChIKeyMHOVIJKKHZGEQS-UHFFFAOYSA-N
XLogP3.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.97
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride 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-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448903
4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447831
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 90338095
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447939
1,4-diazepan-1-yl-[4-(phenylsulfanylmethyl)phenyl]methanone;hydrochloride
CID 119418401
2-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447369
N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide
CID 119509159
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119464249
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964

Frequently Asked Questions

What is the IUPAC name of 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119448902) is 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)c1ccc(CSc2ccccc2)cc1.
What is the InChIKey of 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is MHOVIJKKHZGEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS.ClH/c24-20(22-12-15-23-13-10-21-11-14-23)18-8-6-17(7-9-18)16-25-19-4-2-1-3-5-19;/h1-9,21H,10-16H2,(H,22,24);1H.
What are the key properties of 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 391.97 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119448902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).