N-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide

C19H23NO3S — CID 78811673

IUPACN-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide
SMILESCCCCN(C(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-3-4-13-20(18-11-6-5-7-12-18)19(21)17-10-8-9-16(14-17)15-24(2,22)23/h5-12,14H,3-4,13,15H2,1-2H3
InChIKeyUEEZUDYSCZPGJR-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.68
Rot. Bonds7

About N-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide

N-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide (PubChem CID 78811673) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide.

Molecular Properties

Compound NameN-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide
PubChem CID78811673
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide
SMILESCCCCN(C(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-3-4-13-20(18-11-6-5-7-12-18)19(21)17-10-8-9-16(14-17)15-24(2,22)23/h5-12,14H,3-4,13,15H2,1-2H3
InChIKeyUEEZUDYSCZPGJR-UHFFFAOYSA-N
XLogP3.68
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-butyl-N-phenylbenzamide
CID 17256559
N-butyl-N-phenyl-3-(propanoylamino)benzamide
CID 17309767
N-butyl-3-hydroxy-4-methyl-N-phenylbenzamide
CID 64585980
1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109056371
N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide
CID 64586177
4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide
CID 59836650
N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 8839615
4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379
3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide
CID 71053714
N-butyl-4-chloro-3-cyano-N-phenylbenzamide
CID 75444154
N-butyl-3-methyl-4-nitro-N-phenylbenzamide
CID 2987199

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide?
The IUPAC name of N-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide (CID 78811673) is N-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide.
What is the SMILES notation for N-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide?
The canonical SMILES for N-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide is CCCCN(C(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1.
What is the InChIKey of N-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide?
The InChIKey is UEEZUDYSCZPGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-3-4-13-20(18-11-6-5-7-12-18)19(21)17-10-8-9-16(14-17)15-24(2,22)23/h5-12,14H,3-4,13,15H2,1-2H3.
What are the key properties of N-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide?
N-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide has a molecular weight of 345.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide is sourced from PubChem (CID 78811673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).