(2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide

C19H29NO2S — CID 100744032

IUPAC(2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSC2CCCC2)c1
InChIInChI=1S/C19H29NO2S/c1-13-11-14(2)15(3)18(12-13)22-16(4)19(21)20-9-10-23-17-7-5-6-8-17/h11-12,16-17H,5-10H2,1-4H3,(H,20,21)/t16-/m0/s1
InChIKeyYPQZHMNGIGJLGD-INIZCTEOSA-N
MW335.51 g/mol
LogP4.17
Rot. Bonds7

About (2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide

(2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 100744032) has the molecular formula C19H29NO2S and a molecular weight of 335.51 g/mol. Its IUPAC name is (2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID100744032
Molecular FormulaC19H29NO2S
Molecular Weight335.51 g/mol
Exact Mass335.19
IUPAC Name(2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSC2CCCC2)c1
InChIInChI=1S/C19H29NO2S/c1-13-11-14(2)15(3)18(12-13)22-16(4)19(21)20-9-10-23-17-7-5-6-8-17/h11-12,16-17H,5-10H2,1-4H3,(H,20,21)/t16-/m0/s1
InChIKeyYPQZHMNGIGJLGD-INIZCTEOSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide 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-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
CID 133200034
N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
CID 132760870
N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 46771023
(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
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 28631725
(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide
CID 100613828
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92684033
(2S)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 99960050
(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 99948161
(2R)-N-[(2-methylphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92675244
(2S)-N-[2-(4-propan-2-ylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680909

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide (CID 100744032) is (2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSC2CCCC2)c1.
What is the InChIKey of (2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is YPQZHMNGIGJLGD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29NO2S/c1-13-11-14(2)15(3)18(12-13)22-16(4)19(21)20-9-10-23-17-7-5-6-8-17/h11-12,16-17H,5-10H2,1-4H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide?
(2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 335.51 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 100744032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).