4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide

C18H21NO3S — CID 51098556

IUPAC4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2C)cc1
InChIInChI=1S/C18H21NO3S/c1-4-23(21,22)17-11-9-15(10-12-17)18(20)19(3)13-16-8-6-5-7-14(16)2/h5-12H,4,13H2,1-3H3
InChIKeyZQAUYWMHOOHKML-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.06
Rot. Bonds5

About 4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide

4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 51098556) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide
PubChem CID51098556
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2C)cc1
InChIInChI=1S/C18H21NO3S/c1-4-23(21,22)17-11-9-15(10-12-17)18(20)19(3)13-16-8-6-5-7-14(16)2/h5-12H,4,13H2,1-3H3
InChIKeyZQAUYWMHOOHKML-UHFFFAOYSA-N
XLogP3.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
N-methyl-N-[(2-methylphenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26558348
N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 9368880
4-(ethylamino)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62175917
N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide
CID 27827757
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028521
methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
CID 9368938
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 34940830
N-methyl-N-[(2-methylphenyl)methyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26558363
N-methyl-N-[(2-methylphenyl)methyl]thiophene-3-carboxamide
CID 78803856
3-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60636386

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide (CID 51098556) is 4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide is CCS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2C)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is ZQAUYWMHOOHKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-4-23(21,22)17-11-9-15(10-12-17)18(20)19(3)13-16-8-6-5-7-14(16)2/h5-12H,4,13H2,1-3H3.
What are the key properties of 4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 331.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 51098556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).