2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide

C12H16FNO2S — CID 38005249

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c1-16-7-6-14-12(15)9-17-8-10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyAMFWBABHRWARRJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.82
Rot. Bonds7

About 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide

2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 38005249) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide
PubChem CID38005249
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c1-16-7-6-14-12(15)9-17-8-10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyAMFWBABHRWARRJ-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.82
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

4-{[(4-Methylbenzyl)thio]acetyl}morpholine
CID 775100
N-[2-(tert-butylthio)ethyl]-3-(4-fluorophenyl)acrylamide
CID 2287752
3-[(2-fluorobenzyl)thio]-N-(2-methoxyethyl)propanamide
CID 3236068
N-cyclopentyl-2-[(4-fluorobenzyl)thio]acetamide
CID 3244937
methyl (2S)-2-acetamido-3-benzylsulfanylpropanoate
CID 70682639
2-[(4-methylbenzyl)thio]-N-[3-(4-morpholinyl)propyl]acetamide
CID 2987188
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide
CID 3120116
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide
CID 2217851
2-(benzylthio)-N-[3-(4-morpholinyl)propyl]acetamide
CID 2986818
2-[(4-Fluorobenzyl)sulfanyl]-1-(morpholin-4-yl)ethanone
CID 5045199
2-[[3-(Trifluoromethyl)phenyl]methylsulfanyl]morpholin-3-one
CID 10661222
2-[(2-Methylpropan-2-yl)oxycarbonylamino]ethyl benzylsulfanylformate
CID 162666992

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide (CID 38005249) is 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is AMFWBABHRWARRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-16-7-6-14-12(15)9-17-8-10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3,(H,14,15).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 257.33 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 38005249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).