N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide

C18H20FNO2S — CID 132651623

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCCSCc1ccccc1F
InChIInChI=1S/C18H20FNO2S/c1-14(22-16-8-3-2-4-9-16)18(21)20-11-12-23-13-15-7-5-6-10-17(15)19/h2-10,14H,11-13H2,1H3,(H,20,21)
InChIKeyJEGCIRJQQRSNGG-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.64
Rot. Bonds8

About N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide (PubChem CID 132651623) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide
PubChem CID132651623
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCCSCc1ccccc1F
InChIInChI=1S/C18H20FNO2S/c1-14(22-16-8-3-2-4-9-16)18(21)20-11-12-23-13-15-7-5-6-10-17(15)19/h2-10,14H,11-13H2,1H3,(H,20,21)
InChIKeyJEGCIRJQQRSNGG-UHFFFAOYSA-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

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxybutanamide
CID 132652795
(2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 94012917
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)propanamide
CID 132654566
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-propan-2-yloxybenzamide
CID 92541687
(2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide
CID 26075071
(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
CID 119271967
(2S)-N-(2-benzylsulfanylethyl)-2-(4-chlorophenoxy)propanamide
CID 27861137
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
(2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide
CID 42115635
2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methoxypropanamide
CID 120983883
2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 132663118
2-(4-fluorophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46654879

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide (CID 132651623) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCCSCc1ccccc1F.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide?
The InChIKey is JEGCIRJQQRSNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-14(22-16-8-3-2-4-9-16)18(21)20-11-12-23-13-15-7-5-6-10-17(15)19/h2-10,14H,11-13H2,1H3,(H,20,21).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide 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 N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide is sourced from PubChem (CID 132651623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).