2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide

C12H16FNO2S — CID 47022799

IUPAC2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide
SMILESCCCNC(=O)CS(=O)Cc1ccccc1F
InChIInChI=1S/C12H16FNO2S/c1-2-7-14-12(15)9-17(16)8-10-5-3-4-6-11(10)13/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyGYZXITPRCGGECY-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.60
Rot. Bonds6

About 2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide

2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide (PubChem CID 47022799) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide
PubChem CID47022799
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide
SMILESCCCNC(=O)CS(=O)Cc1ccccc1F
InChIInChI=1S/C12H16FNO2S/c1-2-7-14-12(15)9-17(16)8-10-5-3-4-6-11(10)13/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyGYZXITPRCGGECY-UHFFFAOYSA-N
XLogP1.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(R)-(2-methylphenyl)methylsulfinyl]-N-propylacetamide
CID 94800532
2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide
CID 47024696
N-butyl-2-[(2-methylphenyl)methylsulfinyl]acetamide
CID 47022755
2-[(S)-(4-tert-butylphenyl)methylsulfinyl]-N-propylacetamide
CID 94797057
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-butyl-2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]acetamide
CID 94792964
3-(2-fluorophenyl)-N-pentylpropanamide
CID 94133753
3-[(2-fluorophenyl)methylsulfinyl]propanoic acid
CID 60982003
N-[2-(ethylamino)ethyl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 119260410
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60541269
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide (CID 47022799) is 2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide is CCCNC(=O)CS(=O)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide?
The InChIKey is GYZXITPRCGGECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-2-7-14-12(15)9-17(16)8-10-5-3-4-6-11(10)13/h3-6H,2,7-9H2,1H3,(H,14,15).
What are the key properties of 2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide?
2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide has a molecular weight of 257.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide is sourced from PubChem (CID 47022799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).