N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide

C19H29NO2S — CID 132760870

IUPACN-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1OC(C)C(=O)NCCSC1CCCCC1
InChIInChI=1S/C19H29NO2S/c1-3-16-9-7-8-12-18(16)22-15(2)19(21)20-13-14-23-17-10-5-4-6-11-17/h7-9,12,15,17H,3-6,10-11,13-14H2,1-2H3,(H,20,21)
InChIKeyROANHGUYUQNXJW-UHFFFAOYSA-N
MW335.51 g/mol
LogP4.20
Rot. Bonds8

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

N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide (PubChem CID 132760870) has the molecular formula C19H29NO2S and a molecular weight of 335.51 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
PubChem CID132760870
Molecular FormulaC19H29NO2S
Molecular Weight335.51 g/mol
Exact Mass335.19
IUPAC NameN-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1OC(C)C(=O)NCCSC1CCCCC1
InChIInChI=1S/C19H29NO2S/c1-3-16-9-7-8-12-18(16)22-15(2)19(21)20-13-14-23-17-10-5-4-6-11-17/h7-9,12,15,17H,3-6,10-11,13-14H2,1-2H3,(H,20,21)
InChIKeyROANHGUYUQNXJW-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 54.20
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-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
CID 133200034
(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-cycloheptyl-2-(2-ethylphenoxy)propanamide
CID 93488429
(2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 100744032
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
(2R)-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide
CID 28564714
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide
CID 43875303
1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea
CID 100747076
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
2-(2-ethylphenoxy)-N-(2-phenoxyethyl)propanamide
CID 133239770
(2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide
CID 92685651

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide (CID 132760870) is N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide is CCc1ccccc1OC(C)C(=O)NCCSC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide?
The InChIKey is ROANHGUYUQNXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2S/c1-3-16-9-7-8-12-18(16)22-15(2)19(21)20-13-14-23-17-10-5-4-6-11-17/h7-9,12,15,17H,3-6,10-11,13-14H2,1-2H3,(H,20,21).
What are the key properties of N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide?
N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide has a molecular weight of 335.51 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide is sourced from PubChem (CID 132760870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).