(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide

C18H23NO3S — CID 92683340

IUPAC(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccco1
InChIInChI=1S/C18H23NO3S/c1-3-17(22-15-7-4-6-14(2)12-15)18(20)19-9-11-23-13-16-8-5-10-21-16/h4-8,10,12,17H,3,9,11,13H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyJMKAAPLMYBLNEC-QGZVFWFLSA-N
MW333.45 g/mol
LogP3.80
Rot. Bonds9

About (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide

(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide (PubChem CID 92683340) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide
PubChem CID92683340
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccco1
InChIInChI=1S/C18H23NO3S/c1-3-17(22-15-7-4-6-14(2)12-15)18(20)19-9-11-23-13-16-8-5-10-21-16/h4-8,10,12,17H,3,9,11,13H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyJMKAAPLMYBLNEC-QGZVFWFLSA-N
XLogP3.80
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide
CID 92683250
(2S)-2-(3-methylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 93486741
2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide
CID 43909378
(2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 99951170
(2R)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methylphenoxy)butanamide
CID 28635218
(2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 38462113
2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide
CID 43905864
(2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 92671976
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
(2R)-2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)butanamide
CID 7346761
2-(4-chloro-3-methylphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 132659532
2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 53284498

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide?
The IUPAC name of (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide (CID 92683340) is (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide?
The canonical SMILES for (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide is CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccco1.
What is the InChIKey of (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide?
The InChIKey is JMKAAPLMYBLNEC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-3-17(22-15-7-4-6-14(2)12-15)18(20)19-9-11-23-13-16-8-5-10-21-16/h4-8,10,12,17H,3,9,11,13H2,1-2H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide?
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide has a molecular weight of 333.45 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide is sourced from PubChem (CID 92683340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).