N-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide

C16H16FNOS — CID 2060936

IUPACN-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNOS/c1-2-12-3-7-14(8-4-12)18-16(19)11-20-15-9-5-13(17)6-10-15/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyZKUAMYYNOWVOIF-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.12
Rot. Bonds5

About N-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide

N-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 2060936) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID2060936
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNOS/c1-2-12-3-7-14(8-4-12)18-16(19)11-20-15-9-5-13(17)6-10-15/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyZKUAMYYNOWVOIF-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide 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-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide (CID 2060936) is N-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide is CCc1ccc(NC(=O)CSc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is ZKUAMYYNOWVOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-2-12-3-7-14(8-4-12)18-16(19)11-20-15-9-5-13(17)6-10-15/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of N-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 289.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 2060936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).