2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide

C15H22ClN3OS — CID 119392699

IUPAC2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
SMILESO=C(CSc1ccccc1Cl)NCCCN1CCNCC1
InChIInChI=1S/C15H22ClN3OS/c16-13-4-1-2-5-14(13)21-12-15(20)18-6-3-9-19-10-7-17-8-11-19/h1-2,4-5,17H,3,6-12H2,(H,18,20)
InChIKeyRGUZHCDIUMYNQT-UHFFFAOYSA-N
MW327.88 g/mol
LogP1.84
Rot. Bonds7

About 2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide (PubChem CID 119392699) has the molecular formula C15H22ClN3OS and a molecular weight of 327.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
PubChem CID119392699
Molecular FormulaC15H22ClN3OS
Molecular Weight327.88 g/mol
Exact Mass327.12
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
SMILESO=C(CSc1ccccc1Cl)NCCCN1CCNCC1
InChIInChI=1S/C15H22ClN3OS/c16-13-4-1-2-5-14(13)21-12-15(20)18-6-3-9-19-10-7-17-8-11-19/h1-2,4-5,17H,3,6-12H2,(H,18,20)
InChIKeyRGUZHCDIUMYNQT-UHFFFAOYSA-N
XLogP1.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392698
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391126
2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392216
2-(4-methylphenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390590
2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 35498934
3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391836
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 51155960
2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393611
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide
CID 119394066
3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392623
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391216

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide (CID 119392699) is 2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide is O=C(CSc1ccccc1Cl)NCCCN1CCNCC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide?
The InChIKey is RGUZHCDIUMYNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3OS/c16-13-4-1-2-5-14(13)21-12-15(20)18-6-3-9-19-10-7-17-8-11-19/h1-2,4-5,17H,3,6-12H2,(H,18,20).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide has a molecular weight of 327.88 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 119392699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).