2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide

C16H19NO2S — CID 47024696

IUPAC2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide
SMILESCCCNC(=O)CS(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H19NO2S/c1-2-10-17-16(18)12-20(19)11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,2,10-12H2,1H3,(H,17,18)
InChIKeyYCDRQOSHQINHQZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.61
Rot. Bonds6

About 2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide

2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide (PubChem CID 47024696) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide
PubChem CID47024696
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide
SMILESCCCNC(=O)CS(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H19NO2S/c1-2-10-17-16(18)12-20(19)11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,2,10-12H2,1H3,(H,17,18)
InChIKeyYCDRQOSHQINHQZ-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(R)-(2-methylphenyl)methylsulfinyl]-N-propylacetamide
CID 94800532
2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide
CID 47022799
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
N-butyl-2-[(2-methylphenyl)methylsulfinyl]acetamide
CID 47022755
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
1-(naphthalen-1-ylmethyl)-3-propylthiourea
CID 115596938
3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol
CID 123107319
2-[(2-naphthalen-1-ylacetyl)amino]ethylazanium
CID 3827956
2-chloro-2-naphthalen-1-yl-N-propylacetamide
CID 62224763
N'-benzyl-N-propylpropanediamide
CID 108940601
2-(2-methylsulfanylphenyl)-N-propylacetamide
CID 110485576

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide?
The IUPAC name of 2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide (CID 47024696) is 2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide.
What is the SMILES notation for 2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide?
The canonical SMILES for 2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide is CCCNC(=O)CS(=O)Cc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide?
The InChIKey is YCDRQOSHQINHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-2-10-17-16(18)12-20(19)11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,2,10-12H2,1H3,(H,17,18).
What are the key properties of 2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide?
2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide has a molecular weight of 289.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide is sourced from PubChem (CID 47024696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).