(2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide

C19H25NO3S — CID 92683250

IUPAC(2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1ccco1
InChIInChI=1S/C19H25NO3S/c1-4-17(23-18-12-14(2)7-8-15(18)3)19(21)20-9-11-24-13-16-6-5-10-22-16/h5-8,10,12,17H,4,9,11,13H2,1-3H3,(H,20,21)/t17-/m1/s1
InChIKeyLIBGUHLISKFDBX-QGZVFWFLSA-N
MW347.48 g/mol
LogP4.10
Rot. Bonds9

About (2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide

(2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide (PubChem CID 92683250) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide
PubChem CID92683250
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name(2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1ccco1
InChIInChI=1S/C19H25NO3S/c1-4-17(23-18-12-14(2)7-8-15(18)3)19(21)20-9-11-24-13-16-6-5-10-22-16/h5-8,10,12,17H,4,9,11,13H2,1-3H3,(H,20,21)/t17-/m1/s1
InChIKeyLIBGUHLISKFDBX-QGZVFWFLSA-N
XLogP4.10
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.10
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

2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 53284498
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 92683340
2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide
CID 43909378
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 99954558
2-(2-chloro-5-methylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 18113714
2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
CID 53284304
(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 92682902
2-(2,4-dimethylphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]butanamide
CID 132656452
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 28635367
(2S)-2-(2,3-dimethylphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 94027988
2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983
(2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 92647459

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide?
The IUPAC name of (2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide (CID 92683250) is (2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide?
The canonical SMILES for (2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide is CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1ccco1.
What is the InChIKey of (2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide?
The InChIKey is LIBGUHLISKFDBX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-4-17(23-18-12-14(2)7-8-15(18)3)19(21)20-9-11-24-13-16-6-5-10-22-16/h5-8,10,12,17H,4,9,11,13H2,1-3H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide?
(2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide has a molecular weight of 347.48 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide is sourced from PubChem (CID 92683250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).