2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide

C14H20FNO2S — CID 107299863

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide
SMILESCC(O)CCCNC(=O)CSCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c1-11(17)3-2-8-16-14(18)10-19-9-12-4-6-13(15)7-5-12/h4-7,11,17H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyYWVFPHSINMPUFM-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.34
Rot. Bonds8

About 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide

2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide (PubChem CID 107299863) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide
PubChem CID107299863
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide
SMILESCC(O)CCCNC(=O)CSCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c1-11(17)3-2-8-16-14(18)10-19-9-12-4-6-13(15)7-5-12/h4-7,11,17H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyYWVFPHSINMPUFM-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.34
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

5-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylpentanoic acid
CID 104681646
(2S)-4-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-2-hydroxybutanoic acid
CID 107834626
3-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]propanoic acid
CID 43092403
2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxybutan-2-yl)acetamide
CID 115283509
4-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-3-methylbutanoic acid
CID 81063431
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109835
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861403
N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 5045191
N-tert-butyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 28579550
5-[(4-fluorophenyl)methylamino]pentan-2-ol
CID 107267828
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 3440656

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide (CID 107299863) is 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide is CC(O)CCCNC(=O)CSCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide?
The InChIKey is YWVFPHSINMPUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-11(17)3-2-8-16-14(18)10-19-9-12-4-6-13(15)7-5-12/h4-7,11,17H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide has a molecular weight of 285.38 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide is sourced from PubChem (CID 107299863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).