(2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide

C20H24FNO2S — CID 92671976

IUPAC(2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1cccc(C)c1
InChIInChI=1S/C20H24FNO2S/c1-3-19(24-18-9-7-17(21)8-10-18)20(23)22-11-12-25-14-16-6-4-5-15(2)13-16/h4-10,13,19H,3,11-12,14H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyNOIJRPLNBLKOOC-LJQANCHMSA-N
MW361.48 g/mol
LogP4.34
Rot. Bonds9

About (2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide

(2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide (PubChem CID 92671976) has the molecular formula C20H24FNO2S and a molecular weight of 361.48 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
PubChem CID92671976
Molecular FormulaC20H24FNO2S
Molecular Weight361.48 g/mol
Exact Mass361.15
IUPAC Name(2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1cccc(C)c1
InChIInChI=1S/C20H24FNO2S/c1-3-19(24-18-9-7-17(21)8-10-18)20(23)22-11-12-25-14-16-6-4-5-15(2)13-16/h4-10,13,19H,3,11-12,14H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyNOIJRPLNBLKOOC-LJQANCHMSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 54.34
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

(2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 99951170
2-(4-chloro-3-methylphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 132659532
(2S)-2-(2,3-dimethylphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 94027988
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-fluorophenoxy)butanamide
CID 46772169
(2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 92646274
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-naphthalen-2-yloxybutanamide
CID 46764606
(2S)-2-(3-methylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 93486741
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487
(2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide
CID 28579105
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 132661125
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 92683340

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide?
The IUPAC name of (2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide (CID 92671976) is (2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide is CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1cccc(C)c1.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide?
The InChIKey is NOIJRPLNBLKOOC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24FNO2S/c1-3-19(24-18-9-7-17(21)8-10-18)20(23)22-11-12-25-14-16-6-4-5-15(2)13-16/h4-10,13,19H,3,11-12,14H2,1-2H3,(H,22,23)/t19-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide?
(2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide has a molecular weight of 361.48 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide is sourced from PubChem (CID 92671976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).