(2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide

C20H25NO3S — CID 28579105

IUPAC(2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccccc1
InChIInChI=1S/C20H25NO3S/c1-3-19(24-18-11-7-10-17(14-18)23-2)20(22)21-12-13-25-15-16-8-5-4-6-9-16/h4-11,14,19H,3,12-13,15H2,1-2H3,(H,21,22)/t19-/m1/s1
InChIKeyFVDMIMMMUVKJEC-LJQANCHMSA-N
MW359.49 g/mol
LogP3.90
Rot. Bonds10

About (2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide

(2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide (PubChem CID 28579105) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is (2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide
PubChem CID28579105
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name(2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccccc1
InChIInChI=1S/C20H25NO3S/c1-3-19(24-18-11-7-10-17(14-18)23-2)20(22)21-12-13-25-15-16-8-5-4-6-9-16/h4-11,14,19H,3,12-13,15H2,1-2H3,(H,21,22)/t19-/m1/s1
InChIKeyFVDMIMMMUVKJEC-LJQANCHMSA-N
XLogP3.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.90
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-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 99951170
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
(2R)-N-(2-benzylsulfanylethyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99954618
(2S)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-phenoxybutanamide
CID 9180836
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-naphthalen-2-yloxybutanamide
CID 46764606
(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide
CID 92683293
2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 43909571
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxybutanamide
CID 132652795
(2S)-2-(3-methylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 93486741
2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 43915835
(2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide
CID 42115635

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of (2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide (CID 28579105) is (2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for (2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for (2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide is CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccccc1.
What is the InChIKey of (2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide?
The InChIKey is FVDMIMMMUVKJEC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-3-19(24-18-11-7-10-17(14-18)23-2)20(22)21-12-13-25-15-16-8-5-4-6-9-16/h4-11,14,19H,3,12-13,15H2,1-2H3,(H,21,22)/t19-/m1/s1.
What are the key properties of (2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide?
(2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide has a molecular weight of 359.49 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 28579105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).