(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide

C19H29NO2S — CID 100613828

IUPAC(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSC1CCCC1
InChIInChI=1S/C19H29NO2S/c1-4-18(22-16-12-14(2)11-15(3)13-16)19(21)20-9-10-23-17-7-5-6-8-17/h11-13,17-18H,4-10H2,1-3H3,(H,20,21)/t18-/m1/s1
InChIKeyIHTDPOJOZGPMTI-GOSISDBHSA-N
MW335.51 g/mol
LogP4.25
Rot. Bonds8

About (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide

(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide (PubChem CID 100613828) has the molecular formula C19H29NO2S and a molecular weight of 335.51 g/mol. Its IUPAC name is (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide
PubChem CID100613828
Molecular FormulaC19H29NO2S
Molecular Weight335.51 g/mol
Exact Mass335.19
IUPAC Name(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSC1CCCC1
InChIInChI=1S/C19H29NO2S/c1-4-18(22-16-12-14(2)11-15(3)13-16)19(21)20-9-10-23-17-7-5-6-8-17/h11-13,17-18H,4-10H2,1-3H3,(H,20,21)/t18-/m1/s1
InChIKeyIHTDPOJOZGPMTI-GOSISDBHSA-N
XLogP4.25
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 ≤ 54.25
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

(2S)-N-(2-cyclohexylsulfanylethyl)-2-(4-fluorophenoxy)butanamide
CID 92684204
N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide
CID 17034466
N-(2-cyclopentylsulfanylethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133161452
(2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 100744032
N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 132655055
(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 99133321
N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide
CID 46778333
(2R)-2-(3,5-dimethylphenoxy)butanoic acid
CID 7016341
2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
CID 132655072
2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 132652025
2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide
CID 43905864
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3,5-dimethylphenoxy)butanamide
CID 132657155

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide?
The IUPAC name of (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide (CID 100613828) is (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide?
The canonical SMILES for (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide is CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSC1CCCC1.
What is the InChIKey of (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide?
The InChIKey is IHTDPOJOZGPMTI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29NO2S/c1-4-18(22-16-12-14(2)11-15(3)13-16)19(21)20-9-10-23-17-7-5-6-8-17/h11-13,17-18H,4-10H2,1-3H3,(H,20,21)/t18-/m1/s1.
What are the key properties of (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide?
(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide has a molecular weight of 335.51 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 100613828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).