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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Related Compounds

2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide
CID 35608176
2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
CID 107318521
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
2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide
CID 91813308
2-(4-chlorophenyl)sulfanyl-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115700002
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108908090
3-(5-bromo-2-hydroxyphenyl)-3-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 45142808
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate
CID 2635095
N-(3,4-difluorophenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 26560428

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).