2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide

C13H18FNO2S — CID 107318521

IUPAC2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCCCCO
InChIInChI=1S/C13H18FNO2S/c14-11-4-6-12(7-5-11)18-10-13(17)15-8-2-1-3-9-16/h4-7,16H,1-3,8-10H2,(H,15,17)
InChIKeyBNQNOECFZGBKPA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.20
Rot. Bonds8

About 2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide (PubChem CID 107318521) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
PubChem CID107318521
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCCCCO
InChIInChI=1S/C13H18FNO2S/c14-11-4-6-12(7-5-11)18-10-13(17)15-8-2-1-3-9-16/h4-7,16H,1-3,8-10H2,(H,15,17)
InChIKeyBNQNOECFZGBKPA-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.20
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

2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
CID 107319095
N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide
CID 107318881
N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 107318867
2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60654674
2-(4-tert-butylphenyl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 78854668
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-methylbutanoic acid
CID 80539179
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide
CID 103919645
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide
CID 35608176
2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide
CID 91813308

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide (CID 107318521) is 2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide is O=C(CSc1ccc(F)cc1)NCCCCCO.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide?
The InChIKey is BNQNOECFZGBKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c14-11-4-6-12(7-5-11)18-10-13(17)15-8-2-1-3-9-16/h4-7,16H,1-3,8-10H2,(H,15,17).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide is sourced from PubChem (CID 107318521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).