N-fluoro-N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide

C11H14FNO2S — CID 174624744

IUPACN-fluoro-N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide
SMILESCOc1ccc(SCCN(F)C(C)=O)cc1
InChIInChI=1S/C11H14FNO2S/c1-9(14)13(12)7-8-16-11-5-3-10(15-2)4-6-11/h3-6H,7-8H2,1-2H3
InChIKeyNASWWEMTZKUTJJ-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.52
Rot. Bonds5

About N-fluoro-N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide

N-fluoro-N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide (PubChem CID 174624744) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is N-fluoro-N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound NameN-fluoro-N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide
PubChem CID174624744
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC NameN-fluoro-N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide
SMILESCOc1ccc(SCCN(F)C(C)=O)cc1
InChIInChI=1S/C11H14FNO2S/c1-9(14)13(12)7-8-16-11-5-3-10(15-2)4-6-11/h3-6H,7-8H2,1-2H3
InChIKeyNASWWEMTZKUTJJ-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-fluoro-N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide?
The IUPAC name of N-fluoro-N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide (CID 174624744) is N-fluoro-N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for N-fluoro-N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide?
The canonical SMILES for N-fluoro-N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide is COc1ccc(SCCN(F)C(C)=O)cc1.
What is the InChIKey of N-fluoro-N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide?
The InChIKey is NASWWEMTZKUTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-9(14)13(12)7-8-16-11-5-3-10(15-2)4-6-11/h3-6H,7-8H2,1-2H3.
What are the key properties of N-fluoro-N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide?
N-fluoro-N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide has a molecular weight of 243.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-[2-(4-methoxyphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 174624744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).