(2S)-N-(2-cyclohexylsulfanylethyl)-2-(4-fluorophenoxy)butanamide

C18H26FNO2S — CID 92684204

IUPAC(2S)-N-(2-cyclohexylsulfanylethyl)-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)NCCSC1CCCCC1
InChIInChI=1S/C18H26FNO2S/c1-2-17(22-15-10-8-14(19)9-11-15)18(21)20-12-13-23-16-6-4-3-5-7-16/h8-11,16-17H,2-7,12-13H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyQNMAREWOKQSCFI-KRWDZBQOSA-N
MW339.48 g/mol
LogP4.17
Rot. Bonds8

About (2S)-N-(2-cyclohexylsulfanylethyl)-2-(4-fluorophenoxy)butanamide

(2S)-N-(2-cyclohexylsulfanylethyl)-2-(4-fluorophenoxy)butanamide (PubChem CID 92684204) has the molecular formula C18H26FNO2S and a molecular weight of 339.48 g/mol. Its IUPAC name is (2S)-N-(2-cyclohexylsulfanylethyl)-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyclohexylsulfanylethyl)-2-(4-fluorophenoxy)butanamide
PubChem CID92684204
Molecular FormulaC18H26FNO2S
Molecular Weight339.48 g/mol
Exact Mass339.17
IUPAC Name(2S)-N-(2-cyclohexylsulfanylethyl)-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)NCCSC1CCCCC1
InChIInChI=1S/C18H26FNO2S/c1-2-17(22-15-10-8-14(19)9-11-15)18(21)20-12-13-23-16-6-4-3-5-7-16/h8-11,16-17H,2-7,12-13H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyQNMAREWOKQSCFI-KRWDZBQOSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.17
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)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide
CID 100613828
N-(2-cyclopentylsulfanylethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133161452
(2S)-N-(2-tert-butylsulfanylethyl)-2-(4-fluorophenoxy)butanamide
CID 38012795
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448
(2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 28576885
N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
CID 132760870
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-fluorophenoxy)butanamide
CID 46772169
N-cyclohexyl-2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43886444
(2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide
CID 99952368
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 92681312
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
CID 133200034

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyclohexylsulfanylethyl)-2-(4-fluorophenoxy)butanamide?
The IUPAC name of (2S)-N-(2-cyclohexylsulfanylethyl)-2-(4-fluorophenoxy)butanamide (CID 92684204) is (2S)-N-(2-cyclohexylsulfanylethyl)-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for (2S)-N-(2-cyclohexylsulfanylethyl)-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for (2S)-N-(2-cyclohexylsulfanylethyl)-2-(4-fluorophenoxy)butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSC1CCCCC1.
What is the InChIKey of (2S)-N-(2-cyclohexylsulfanylethyl)-2-(4-fluorophenoxy)butanamide?
The InChIKey is QNMAREWOKQSCFI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26FNO2S/c1-2-17(22-15-10-8-14(19)9-11-15)18(21)20-12-13-23-16-6-4-3-5-7-16/h8-11,16-17H,2-7,12-13H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-cyclohexylsulfanylethyl)-2-(4-fluorophenoxy)butanamide?
(2S)-N-(2-cyclohexylsulfanylethyl)-2-(4-fluorophenoxy)butanamide has a molecular weight of 339.48 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyclohexylsulfanylethyl)-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 92684204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).