N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide

C15H21NO3S — CID 83202111

IUPACN-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(SCC(=O)NOC2CCCC2)cc1
InChIInChI=1S/C15H21NO3S/c1-2-18-12-7-9-14(10-8-12)20-11-15(17)16-19-13-5-3-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,16,17)
InChIKeyAJYYSQFPTLZVQY-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.17
Rot. Bonds7

About N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide

N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide (PubChem CID 83202111) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide
PubChem CID83202111
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(SCC(=O)NOC2CCCC2)cc1
InChIInChI=1S/C15H21NO3S/c1-2-18-12-7-9-14(10-8-12)20-11-15(17)16-19-13-5-3-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,16,17)
InChIKeyAJYYSQFPTLZVQY-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide
CID 83201947
2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide
CID 83202861
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 119602529
2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide
CID 79675642
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 63298611
2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933406
2-(4-ethoxyphenyl)sulfanyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 119396535
N-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride
CID 119522886
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-ethoxyphenyl)sulfanylethanone;hydrochloride
CID 119594432
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide?
The IUPAC name of N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide (CID 83202111) is N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide is CCOc1ccc(SCC(=O)NOC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide?
The InChIKey is AJYYSQFPTLZVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-2-18-12-7-9-14(10-8-12)20-11-15(17)16-19-13-5-3-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,16,17).
What are the key properties of N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide?
N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide has a molecular weight of 295.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 83202111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).