3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide

C19H22FNO2S — CID 38712022

IUPAC3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(C)cc1CCNC(=O)CCSc1ccccc1F
InChIInChI=1S/C19H22FNO2S/c1-14-7-8-17(23-2)15(13-14)9-11-21-19(22)10-12-24-18-6-4-3-5-16(18)20/h3-8,13H,9-12H2,1-2H3,(H,21,22)
InChIKeyFSBGTHYNQOOUMW-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.98
Rot. Bonds8

About 3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide

3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide (PubChem CID 38712022) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide
PubChem CID38712022
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(C)cc1CCNC(=O)CCSc1ccccc1F
InChIInChI=1S/C19H22FNO2S/c1-14-7-8-17(23-2)15(13-14)9-11-21-19(22)10-12-24-18-6-4-3-5-16(18)20/h3-8,13H,9-12H2,1-2H3,(H,21,22)
InChIKeyFSBGTHYNQOOUMW-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 33105271
2-fluoro-N-[1-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 74617762
N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 26457203
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 31590171
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
N-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 41309387
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273154
N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 16567918
3-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 43417674
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94685624

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide (CID 38712022) is 3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide is COc1ccc(C)cc1CCNC(=O)CCSc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The InChIKey is FSBGTHYNQOOUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-14-7-8-17(23-2)15(13-14)9-11-21-19(22)10-12-24-18-6-4-3-5-16(18)20/h3-8,13H,9-12H2,1-2H3,(H,21,22).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide?
3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 38712022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).