2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide

C17H24ClNO2S — CID 100524092

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide
SMILESCc1cc(OCC(=O)NCCSC2CCCC2)cc(C)c1Cl
InChIInChI=1S/C17H24ClNO2S/c1-12-9-14(10-13(2)17(12)18)21-11-16(20)19-7-8-22-15-5-3-4-6-15/h9-10,15H,3-8,11H2,1-2H3,(H,19,20)
InChIKeyPSFQIDXIPULLDA-UHFFFAOYSA-N
MW341.90 g/mol
LogP4.13
Rot. Bonds7

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide (PubChem CID 100524092) has the molecular formula C17H24ClNO2S and a molecular weight of 341.90 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide
PubChem CID100524092
Molecular FormulaC17H24ClNO2S
Molecular Weight341.90 g/mol
Exact Mass341.12
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide
SMILESCc1cc(OCC(=O)NCCSC2CCCC2)cc(C)c1Cl
InChIInChI=1S/C17H24ClNO2S/c1-12-9-14(10-13(2)17(12)18)21-11-16(20)19-7-8-22-15-5-3-4-6-15/h9-10,15H,3-8,11H2,1-2H3,(H,19,20)
InChIKeyPSFQIDXIPULLDA-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.90
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide
CID 108538493
2-(4-chloro-3,5-dimethylphenoxy)-N-hexadecylacetamide
CID 3539927
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide
CID 108759391
2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide
CID 2268369
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108539806
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 108541249
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dihydroxybenzamide
CID 108541263
N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide
CID 46778333
2-chloroethyl N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572526
2-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylate
CID 4064316
4-bromo-N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]benzamide
CID 108539348
2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17188384

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide (CID 100524092) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide is Cc1cc(OCC(=O)NCCSC2CCCC2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide?
The InChIKey is PSFQIDXIPULLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2S/c1-12-9-14(10-13(2)17(12)18)21-11-16(20)19-7-8-22-15-5-3-4-6-15/h9-10,15H,3-8,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide has a molecular weight of 341.90 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-cyclopentylsulfanylethyl)acetamide is sourced from PubChem (CID 100524092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).