N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide

C18H27NO2S — CID 133200034

IUPACN-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1OC(C)C(=O)NCCSC1CCCC1
InChIInChI=1S/C18H27NO2S/c1-3-15-8-4-7-11-17(15)21-14(2)18(20)19-12-13-22-16-9-5-6-10-16/h4,7-8,11,14,16H,3,5-6,9-10,12-13H2,1-2H3,(H,19,20)
InChIKeyBBCMZGMSTYMRSZ-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.81
Rot. Bonds8

About N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide

N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide (PubChem CID 133200034) has the molecular formula C18H27NO2S and a molecular weight of 321.49 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
PubChem CID133200034
Molecular FormulaC18H27NO2S
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC NameN-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1OC(C)C(=O)NCCSC1CCCC1
InChIInChI=1S/C18H27NO2S/c1-3-15-8-4-7-11-17(15)21-14(2)18(20)19-12-13-22-16-9-5-6-10-16/h4,7-8,11,14,16H,3,5-6,9-10,12-13H2,1-2H3,(H,19,20)
InChIKeyBBCMZGMSTYMRSZ-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.81
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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Related Compounds

N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
CID 132760870
(2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 28576651
N-(2-cyclopentylsulfanylethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133235185
(2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 100744032
(2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide
CID 93488429
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide
CID 43875303
(2R)-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide
CID 28564714
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea
CID 100747076
(2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide
CID 92685651
2-(2-ethylphenoxy)-N-(2-phenoxyethyl)propanamide
CID 133239770

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide (CID 133200034) is N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide is CCc1ccccc1OC(C)C(=O)NCCSC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide?
The InChIKey is BBCMZGMSTYMRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2S/c1-3-15-8-4-7-11-17(15)21-14(2)18(20)19-12-13-22-16-9-5-6-10-16/h4,7-8,11,14,16H,3,5-6,9-10,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide?
N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide has a molecular weight of 321.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide is sourced from PubChem (CID 133200034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).