2-cyclopentylsulfinyl-N-[2-(2,6-dimethylphenoxy)ethyl]acetamide

C17H25NO3S — CID 71968902

IUPAC2-cyclopentylsulfinyl-N-[2-(2,6-dimethylphenoxy)ethyl]acetamide
SMILESCc1cccc(C)c1OCCNC(=O)CS(=O)C1CCCC1
InChIInChI=1S/C17H25NO3S/c1-13-6-5-7-14(2)17(13)21-11-10-18-16(19)12-22(20)15-8-3-4-9-15/h5-7,15H,3-4,8-12H2,1-2H3,(H,18,19)
InChIKeyBDRWLENFSYHVOZ-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.49
Rot. Bonds7

About 2-cyclopentylsulfinyl-N-[2-(2,6-dimethylphenoxy)ethyl]acetamide

2-cyclopentylsulfinyl-N-[2-(2,6-dimethylphenoxy)ethyl]acetamide (PubChem CID 71968902) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-cyclopentylsulfinyl-N-[2-(2,6-dimethylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfinyl-N-[2-(2,6-dimethylphenoxy)ethyl]acetamide
PubChem CID71968902
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name2-cyclopentylsulfinyl-N-[2-(2,6-dimethylphenoxy)ethyl]acetamide
SMILESCc1cccc(C)c1OCCNC(=O)CS(=O)C1CCCC1
InChIInChI=1S/C17H25NO3S/c1-13-6-5-7-14(2)17(13)21-11-10-18-16(19)12-22(20)15-8-3-4-9-15/h5-7,15H,3-4,8-12H2,1-2H3,(H,18,19)
InChIKeyBDRWLENFSYHVOZ-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfinyl-N-[2-(2,6-dimethylphenoxy)ethyl]acetamide?
The IUPAC name of 2-cyclopentylsulfinyl-N-[2-(2,6-dimethylphenoxy)ethyl]acetamide (CID 71968902) is 2-cyclopentylsulfinyl-N-[2-(2,6-dimethylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfinyl-N-[2-(2,6-dimethylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfinyl-N-[2-(2,6-dimethylphenoxy)ethyl]acetamide is Cc1cccc(C)c1OCCNC(=O)CS(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfinyl-N-[2-(2,6-dimethylphenoxy)ethyl]acetamide?
The InChIKey is BDRWLENFSYHVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-13-6-5-7-14(2)17(13)21-11-10-18-16(19)12-22(20)15-8-3-4-9-15/h5-7,15H,3-4,8-12H2,1-2H3,(H,18,19).
What are the key properties of 2-cyclopentylsulfinyl-N-[2-(2,6-dimethylphenoxy)ethyl]acetamide?
2-cyclopentylsulfinyl-N-[2-(2,6-dimethylphenoxy)ethyl]acetamide has a molecular weight of 323.46 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfinyl-N-[2-(2,6-dimethylphenoxy)ethyl]acetamide is sourced from PubChem (CID 71968902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).