N-[2-(3-chlorophenoxy)ethyl]-2-cyclopentylsulfinylacetamide

C15H20ClNO3S — CID 71917081

IUPACN-[2-(3-chlorophenoxy)ethyl]-2-cyclopentylsulfinylacetamide
SMILESO=C(CS(=O)C1CCCC1)NCCOc1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO3S/c16-12-4-3-5-13(10-12)20-9-8-17-15(18)11-21(19)14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11H2,(H,17,18)
InChIKeyLXODWIWHYOMHII-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.53
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-2-cyclopentylsulfinylacetamide

N-[2-(3-chlorophenoxy)ethyl]-2-cyclopentylsulfinylacetamide (PubChem CID 71917081) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-2-cyclopentylsulfinylacetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-2-cyclopentylsulfinylacetamide
PubChem CID71917081
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-2-cyclopentylsulfinylacetamide
SMILESO=C(CS(=O)C1CCCC1)NCCOc1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO3S/c16-12-4-3-5-13(10-12)20-9-8-17-15(18)11-21(19)14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11H2,(H,17,18)
InChIKeyLXODWIWHYOMHII-UHFFFAOYSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-chlorophenoxy)ethyl]-2-cyclopentylsulfinylacetamide 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-[2-(3-chlorophenoxy)ethyl]-2-cyclopentylsulfinylacetamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-cyclopentylsulfinylacetamide (CID 71917081) is N-[2-(3-chlorophenoxy)ethyl]-2-cyclopentylsulfinylacetamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-2-cyclopentylsulfinylacetamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-2-cyclopentylsulfinylacetamide is O=C(CS(=O)C1CCCC1)NCCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-2-cyclopentylsulfinylacetamide?
The InChIKey is LXODWIWHYOMHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c16-12-4-3-5-13(10-12)20-9-8-17-15(18)11-21(19)14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11H2,(H,17,18).
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-2-cyclopentylsulfinylacetamide?
N-[2-(3-chlorophenoxy)ethyl]-2-cyclopentylsulfinylacetamide has a molecular weight of 329.85 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-2-cyclopentylsulfinylacetamide is sourced from PubChem (CID 71917081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).