2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide

C19H24ClN3OS — CID 119391126

IUPAC2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NCCCN1CCNCC1
InChIInChI=1S/C19H24ClN3OS/c20-16-6-1-4-15-5-2-7-17(19(15)16)25-14-18(24)22-8-3-11-23-12-9-21-10-13-23/h1-2,4-7,21H,3,8-14H2,(H,22,24)
InChIKeyXTODMZODZNJCLN-UHFFFAOYSA-N
MW377.94 g/mol
LogP3.00
Rot. Bonds7

About 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide

2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide (PubChem CID 119391126) has the molecular formula C19H24ClN3OS and a molecular weight of 377.94 g/mol. Its IUPAC name is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
PubChem CID119391126
Molecular FormulaC19H24ClN3OS
Molecular Weight377.94 g/mol
Exact Mass377.13
IUPAC Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NCCCN1CCNCC1
InChIInChI=1S/C19H24ClN3OS/c20-16-6-1-4-15-5-2-7-17(19(15)16)25-14-18(24)22-8-3-11-23-12-9-21-10-13-23/h1-2,4-7,21H,3,8-14H2,(H,22,24)
InChIKeyXTODMZODZNJCLN-UHFFFAOYSA-N
XLogP3.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 53.00
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
CID 119392699
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 51155960
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392698
2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392216
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[3-(methylamino)propyl]acetamide
CID 119430016
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391216
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
2-(4-methylphenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390590
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2679594
3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391836
2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide (CID 119391126) is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide is O=C(CSc1cccc2cccc(Cl)c12)NCCCN1CCNCC1.
What is the InChIKey of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide?
The InChIKey is XTODMZODZNJCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3OS/c20-16-6-1-4-15-5-2-7-17(19(15)16)25-14-18(24)22-8-3-11-23-12-9-21-10-13-23/h1-2,4-7,21H,3,8-14H2,(H,22,24).
What are the key properties of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide?
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide has a molecular weight of 377.94 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 119391126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).