2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide

C12H16ClNO2S — CID 2865165

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2S/c1-9(12(15)14-7-8-16-2)17-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyLOSAHKBJRPBJPU-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.58
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide (PubChem CID 2865165) has the molecular formula C12H16ClNO2S and a molecular weight of 273.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide
PubChem CID2865165
Molecular FormulaC12H16ClNO2S
Molecular Weight273.79 g/mol
Exact Mass273.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2S/c1-9(12(15)14-7-8-16-2)17-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyLOSAHKBJRPBJPU-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide 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 2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide (CID 2865165) is 2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide?
The InChIKey is LOSAHKBJRPBJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-9(12(15)14-7-8-16-2)17-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide has a molecular weight of 273.79 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 2865165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).