N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-morpholin-4-ylacetamide

C16H23ClN2O2S — CID 131937242

IUPACN-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NCCCSCc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2S/c17-15-4-2-14(3-5-15)13-22-11-1-6-18-16(20)12-19-7-9-21-10-8-19/h2-5H,1,6-13H2,(H,18,20)
InChIKeyMQEATVZDSVDXLE-UHFFFAOYSA-N
MW342.89 g/mol
LogP2.41
Rot. Bonds8

About N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-morpholin-4-ylacetamide

N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-morpholin-4-ylacetamide (PubChem CID 131937242) has the molecular formula C16H23ClN2O2S and a molecular weight of 342.89 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-morpholin-4-ylacetamide
PubChem CID131937242
Molecular FormulaC16H23ClN2O2S
Molecular Weight342.89 g/mol
Exact Mass342.12
IUPAC NameN-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NCCCSCc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2S/c17-15-4-2-14(3-5-15)13-22-11-1-6-18-16(20)12-19-7-9-21-10-8-19/h2-5H,1,6-13H2,(H,18,20)
InChIKeyMQEATVZDSVDXLE-UHFFFAOYSA-N
XLogP2.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 2987188
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 94549604
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
N-[2-(4-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787213
N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 74239482
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide
CID 38016538
1-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-3-[(3R)-pyrrolidin-3-yl]urea
CID 131940761
1-[2-(4-chlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8669391
N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride
CID 17221281
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2284206
N-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-morpholin-4-ylacetamide
CID 110444241
1-[(4-chlorophenyl)methyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111130958

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-morpholin-4-ylacetamide (CID 131937242) is N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NCCCSCc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-morpholin-4-ylacetamide?
The InChIKey is MQEATVZDSVDXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2S/c17-15-4-2-14(3-5-15)13-22-11-1-6-18-16(20)12-19-7-9-21-10-8-19/h2-5H,1,6-13H2,(H,18,20).
What are the key properties of N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-morpholin-4-ylacetamide?
N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-morpholin-4-ylacetamide has a molecular weight of 342.89 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 131937242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).