(2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide

C18H20FNO2S — CID 26075071

IUPAC(2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccccc1
InChIInChI=1S/C18H20FNO2S/c1-14(22-17-9-7-16(19)8-10-17)18(21)20-11-12-23-13-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyLKSKRSSFEAOZTJ-CQSZACIVSA-N
MW333.43 g/mol
LogP3.64
Rot. Bonds8

About (2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide

(2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide (PubChem CID 26075071) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide
PubChem CID26075071
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name(2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccccc1
InChIInChI=1S/C18H20FNO2S/c1-14(22-17-9-7-16(19)8-10-17)18(21)20-11-12-23-13-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyLKSKRSSFEAOZTJ-CQSZACIVSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.64
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

(2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide
CID 42115635
(2S)-N-(2-benzylsulfanylethyl)-2-(4-chlorophenoxy)propanamide
CID 27861137
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide
CID 132651623
N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide
CID 46773020
2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 21367134
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
2-(4-fluorophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46654879
(2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 92671976
2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 132663118
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43391422
(2S)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)propanamide
CID 9173320

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide (CID 26075071) is (2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide is C[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccccc1.
What is the InChIKey of (2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide?
The InChIKey is LKSKRSSFEAOZTJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-14(22-17-9-7-16(19)8-10-17)18(21)20-11-12-23-13-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide?
(2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide has a molecular weight of 333.43 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 26075071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).