2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide

C15H21Cl2N3OS — CID 119392216

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NCCCN1CCNCC1
InChIInChI=1S/C15H21Cl2N3OS/c16-12-2-3-13(17)14(10-12)22-11-15(21)19-4-1-7-20-8-5-18-6-9-20/h2-3,10,18H,1,4-9,11H2,(H,19,21)
InChIKeyYXXACGSTONWXQK-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.50
Rot. Bonds7

About 2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide (PubChem CID 119392216) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
PubChem CID119392216
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NCCCN1CCNCC1
InChIInChI=1S/C15H21Cl2N3OS/c16-12-2-3-13(17)14(10-12)22-11-15(21)19-4-1-7-20-8-5-18-6-9-20/h2-3,10,18H,1,4-9,11H2,(H,19,21)
InChIKeyYXXACGSTONWXQK-UHFFFAOYSA-N
XLogP2.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide 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

2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392699
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392698
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391126
1-[3-(2,5-dichlorophenyl)sulfanylpropyl]piperazine;dihydrochloride
CID 131880724
2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 8787363
2-(4-methylphenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390590
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391216
2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide
CID 119447334
2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide
CID 119448232
3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394510
2-[(4-chlorophenyl)methylcarbamoylamino]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392063

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide (CID 119392216) is 2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide is O=C(CSc1cc(Cl)ccc1Cl)NCCCN1CCNCC1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide?
The InChIKey is YXXACGSTONWXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3OS/c16-12-2-3-13(17)14(10-12)22-11-15(21)19-4-1-7-20-8-5-18-6-9-20/h2-3,10,18H,1,4-9,11H2,(H,19,21).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide has a molecular weight of 362.33 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 119392216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).