2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide

C12H16FNO3S — CID 60654674

IUPAC2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCOCCO
InChIInChI=1S/C12H16FNO3S/c13-10-1-3-11(4-2-10)18-9-12(16)14-5-7-17-8-6-15/h1-4,15H,5-9H2,(H,14,16)
InChIKeyJOHVEDAJBVXQHJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.04
Rot. Bonds8

About 2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide (PubChem CID 60654674) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide
PubChem CID60654674
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCOCCO
InChIInChI=1S/C12H16FNO3S/c13-10-1-3-11(4-2-10)18-9-12(16)14-5-7-17-8-6-15/h1-4,15H,5-9H2,(H,14,16)
InChIKeyJOHVEDAJBVXQHJ-UHFFFAOYSA-N
XLogP1.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide (CID 60654674) is 2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide is O=C(CSc1ccc(F)cc1)NCCOCCO.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The InChIKey is JOHVEDAJBVXQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c13-10-1-3-11(4-2-10)18-9-12(16)14-5-7-17-8-6-15/h1-4,15H,5-9H2,(H,14,16).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide has a molecular weight of 273.33 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide is sourced from PubChem (CID 60654674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).