2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide

C19H23ClN2O2S — CID 51155960

IUPAC2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NCCCN1CCOCC1
InChIInChI=1S/C19H23ClN2O2S/c20-16-6-1-4-15-5-2-7-17(19(15)16)25-14-18(23)21-8-3-9-22-10-12-24-13-11-22/h1-2,4-7H,3,8-14H2,(H,21,23)
InChIKeyHOMBQZCXQZHMKA-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.42
Rot. Bonds7

About 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide

2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 51155960) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID51155960
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NCCCN1CCOCC1
InChIInChI=1S/C19H23ClN2O2S/c20-16-6-1-4-15-5-2-7-17(19(15)16)25-14-18(23)21-8-3-9-22-10-12-24-13-11-22/h1-2,4-7H,3,8-14H2,(H,21,23)
InChIKeyHOMBQZCXQZHMKA-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-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-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391126
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
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 3128229
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2679594
(E)-3-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 51116604
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 31136930
2-(2-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 51207846
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
N-(2-morpholin-4-ylethyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2634687
2-(2-anilino-2-oxoethyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 39083495
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide (CID 51155960) is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide is O=C(CSc1cccc2cccc(Cl)c12)NCCCN1CCOCC1.
What is the InChIKey of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is HOMBQZCXQZHMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c20-16-6-1-4-15-5-2-7-17(19(15)16)25-14-18(23)21-8-3-9-22-10-12-24-13-11-22/h1-2,4-7H,3,8-14H2,(H,21,23).
What are the key properties of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 378.93 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 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-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 51155960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).