4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide

C19H23NO3S — CID 51190386

IUPAC4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-3-16(17-7-5-4-6-8-17)13-20-19(21)18-11-9-15(10-12-18)14-24(2,22)23/h4-12,16H,3,13-14H2,1-2H3,(H,20,21)
InChIKeyUIIQZYQUTVFVRV-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.15
Rot. Bonds7

About 4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide

4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide (PubChem CID 51190386) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide
PubChem CID51190386
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-3-16(17-7-5-4-6-8-17)13-20-19(21)18-11-9-15(10-12-18)14-24(2,22)23/h4-12,16H,3,13-14H2,1-2H3,(H,20,21)
InChIKeyUIIQZYQUTVFVRV-UHFFFAOYSA-N
XLogP3.15
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide
CID 51153670
4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide
CID 46510116
4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
CID 119271718
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
CID 35625599
4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 43016057
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51150482
1-oxido-N-(2-phenylbutyl)pyridin-1-ium-4-carboxamide
CID 47110917
N-(3-hydroxy-2-methylpropyl)-4-(methylsulfonylmethyl)benzamide
CID 65031706
3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062
(2S)-2-amino-3-[4-[2-(4-phenylphenyl)butylcarbamoyl]phenyl]propanoic acid
CID 121454841

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide?
The IUPAC name of 4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide (CID 51190386) is 4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide.
What is the SMILES notation for 4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide?
The canonical SMILES for 4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide is CCC(CNC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide?
The InChIKey is UIIQZYQUTVFVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-3-16(17-7-5-4-6-8-17)13-20-19(21)18-11-9-15(10-12-18)14-24(2,22)23/h4-12,16H,3,13-14H2,1-2H3,(H,20,21).
What are the key properties of 4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide?
4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide has a molecular weight of 345.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide is sourced from PubChem (CID 51190386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).