4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide

C21H21NO3S — CID 46442591

IUPAC4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)NCCc2cccc3ccccc23)cc1
InChIInChI=1S/C21H21NO3S/c1-26(24,25)15-16-9-11-19(12-10-16)21(23)22-14-13-18-7-4-6-17-5-2-3-8-20(17)18/h2-12H,13-15H2,1H3,(H,22,23)
InChIKeyAIYQXAMHSDRRBX-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.36
Rot. Bonds6

About 4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide

4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide (PubChem CID 46442591) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide
PubChem CID46442591
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC Name4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)NCCc2cccc3ccccc23)cc1
InChIInChI=1S/C21H21NO3S/c1-26(24,25)15-16-9-11-19(12-10-16)21(23)22-14-13-18-7-4-6-17-5-2-3-8-20(17)18/h2-12H,13-15H2,1H3,(H,22,23)
InChIKeyAIYQXAMHSDRRBX-UHFFFAOYSA-N
XLogP3.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27548428
N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 60535333
N-(3-acetamidopropyl)-4-(methylsulfonylmethyl)benzamide
CID 38449785
N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46461593
4-(methylsulfonylmethyl)-N-(3-phenylsulfanylpropyl)benzamide
CID 26352356
2-hydroxy-2-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 115178963
2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide
CID 47063616
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid
CID 70145903
N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27823905
2-chloro-N-(2-naphthalen-1-ylethyl)benzamide
CID 46434104
N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 60742768

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide?
The IUPAC name of 4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide (CID 46442591) is 4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide.
What is the SMILES notation for 4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide?
The canonical SMILES for 4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide is CS(=O)(=O)Cc1ccc(C(=O)NCCc2cccc3ccccc23)cc1.
What is the InChIKey of 4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide?
The InChIKey is AIYQXAMHSDRRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-26(24,25)15-16-9-11-19(12-10-16)21(23)22-14-13-18-7-4-6-17-5-2-3-8-20(17)18/h2-12H,13-15H2,1H3,(H,22,23).
What are the key properties of 4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide?
4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide has a molecular weight of 367.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide is sourced from PubChem (CID 46442591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).