3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide

C17H22N2O3S — CID 75514638

IUPAC3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide
SMILESCN(C)S(=O)(=O)CCC(=O)NCCc1cccc2ccccc12
InChIInChI=1S/C17H22N2O3S/c1-19(2)23(21,22)13-11-17(20)18-12-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9H,10-13H2,1-2H3,(H,18,20)
InChIKeyVLUJBSNJSCRVLI-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.78
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide

3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide (PubChem CID 75514638) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide
PubChem CID75514638
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide
SMILESCN(C)S(=O)(=O)CCC(=O)NCCc1cccc2ccccc12
InChIInChI=1S/C17H22N2O3S/c1-19(2)23(21,22)13-11-17(20)18-12-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9H,10-13H2,1-2H3,(H,18,20)
InChIKeyVLUJBSNJSCRVLI-UHFFFAOYSA-N
XLogP1.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-{2-[7-(Methylsulfamoyl)naphthalen-1-Yl]ethyl}acetamide
CID 18175028
N-[2-(7-methylsulfinyl-naphth-1-yl)ethyl]acetamide
CID 9817006
N-[2-(1-naphthyl)ethyl]acetamide
CID 9990794
N-(2-(7-sulfamoylnaphthalen-1-yl)ethyl)acetamide
CID 18175008
N-[2-(7-methylsulfonyl-naphth-1-yl)ethyl]acetamide
CID 21916760
N-[2-(naphthalen-1-yl)ethyl]pentanamide
CID 44377314
N-[2-(3-methylphenyl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 5051644
Sodium 2-[[2-(naphthalen-1-ylmethyl)-3-sulfanylpropanoyl]amino]ethanesulfonate
CID 23701633
3-[(4-methylbenzyl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide
CID 5068932
1-(ethylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 3239183
N-(1-Benzyl-7-{[(propylsulfonyl)amino]methyl}-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 57467309
N-[1-(3-Fluorobenzyl)-7-{3-[(propylsulfonyl)amino]propyl}-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 57471362

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide (CID 75514638) is 3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide is CN(C)S(=O)(=O)CCC(=O)NCCc1cccc2ccccc12.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide?
The InChIKey is VLUJBSNJSCRVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-19(2)23(21,22)13-11-17(20)18-12-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9H,10-13H2,1-2H3,(H,18,20).
What are the key properties of 3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide?
3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide has a molecular weight of 334.44 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide is sourced from PubChem (CID 75514638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).