2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-cyclopentyl-N-cyclopropylacetamide

C18H24ClNO2S — CID 112823744

IUPAC2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-cyclopentyl-N-cyclopropylacetamide
SMILESO=C(CSCCOc1ccc(Cl)cc1)N(C1CCCC1)C1CC1
InChIInChI=1S/C18H24ClNO2S/c19-14-5-9-17(10-6-14)22-11-12-23-13-18(21)20(16-7-8-16)15-3-1-2-4-15/h5-6,9-10,15-16H,1-4,7-8,11-13H2
InChIKeyIJIMKTFZPHIZRT-UHFFFAOYSA-N
MW353.92 g/mol
LogP4.39
Rot. Bonds8

About 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-cyclopentyl-N-cyclopropylacetamide

2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-cyclopentyl-N-cyclopropylacetamide (PubChem CID 112823744) has the molecular formula C18H24ClNO2S and a molecular weight of 353.92 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-cyclopentyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-cyclopentyl-N-cyclopropylacetamide
PubChem CID112823744
Molecular FormulaC18H24ClNO2S
Molecular Weight353.92 g/mol
Exact Mass353.12
IUPAC Name2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-cyclopentyl-N-cyclopropylacetamide
SMILESO=C(CSCCOc1ccc(Cl)cc1)N(C1CCCC1)C1CC1
InChIInChI=1S/C18H24ClNO2S/c19-14-5-9-17(10-6-14)22-11-12-23-13-18(21)20(16-7-8-16)15-3-1-2-4-15/h5-6,9-10,15-16H,1-4,7-8,11-13H2
InChIKeyIJIMKTFZPHIZRT-UHFFFAOYSA-N
XLogP4.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.92
LogP ≤ 54.39
H-Bond Donors ≤ 50
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-[2-(4-chlorophenoxy)ethylsulfanyl]-N-cyclopentyl-N-cyclopropylacetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-cyclopentyl-N-cyclopropylacetamide (CID 112823744) is 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-cyclopentyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-cyclopentyl-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-cyclopentyl-N-cyclopropylacetamide is O=C(CSCCOc1ccc(Cl)cc1)N(C1CCCC1)C1CC1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-cyclopentyl-N-cyclopropylacetamide?
The InChIKey is IJIMKTFZPHIZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO2S/c19-14-5-9-17(10-6-14)22-11-12-23-13-18(21)20(16-7-8-16)15-3-1-2-4-15/h5-6,9-10,15-16H,1-4,7-8,11-13H2.
What are the key properties of 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-cyclopentyl-N-cyclopropylacetamide?
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-cyclopentyl-N-cyclopropylacetamide has a molecular weight of 353.92 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-cyclopentyl-N-cyclopropylacetamide is sourced from PubChem (CID 112823744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).