2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide

C15H22ClNO2S — CID 103918794

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide
SMILESO=C(CSCc1cccc(Cl)c1)NCCCCCCO
InChIInChI=1S/C15H22ClNO2S/c16-14-7-5-6-13(10-14)11-20-12-15(19)17-8-3-1-2-4-9-18/h5-7,10,18H,1-4,8-9,11-12H2,(H,17,19)
InChIKeyKDPLEPDHGZEZTF-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.24
Rot. Bonds10

About 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide (PubChem CID 103918794) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide
PubChem CID103918794
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide
SMILESO=C(CSCc1cccc(Cl)c1)NCCCCCCO
InChIInChI=1S/C15H22ClNO2S/c16-14-7-5-6-13(10-14)11-20-12-15(19)17-8-3-1-2-4-9-18/h5-7,10,18H,1-4,8-9,11-12H2,(H,17,19)
InChIKeyKDPLEPDHGZEZTF-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 43238428
4-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 43092004
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391216
N-(3-aminobutyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide;hydrochloride
CID 119495488
2-[(3-chlorophenyl)methylsulfanyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104858185
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031428
2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide
CID 9179466
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 55629070
2-[(3-chlorophenyl)methylsulfanyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362449
(2R)-2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]-4-hydroxybutanoic acid
CID 107822996
2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide
CID 120831411
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 60629859

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide (CID 103918794) is 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide is O=C(CSCc1cccc(Cl)c1)NCCCCCCO.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide?
The InChIKey is KDPLEPDHGZEZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c16-14-7-5-6-13(10-14)11-20-12-15(19)17-8-3-1-2-4-9-18/h5-7,10,18H,1-4,8-9,11-12H2,(H,17,19).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide has a molecular weight of 315.87 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide is sourced from PubChem (CID 103918794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).