3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide

C17H19NO3S — CID 110790612

IUPAC3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C17H19NO3S/c1-13-4-3-5-15(12-13)17(19)18-11-10-14-6-8-16(9-7-14)22(2,20)21/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyLTFXDAYSZJHEKT-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.37
Rot. Bonds5

About 3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide

3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 110790612) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID110790612
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C17H19NO3S/c1-13-4-3-5-15(12-13)17(19)18-11-10-14-6-8-16(9-7-14)22(2,20)21/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyLTFXDAYSZJHEKT-UHFFFAOYSA-N
XLogP2.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide
CID 3438717
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide
CID 108736298
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methylbenzamide
CID 78796412
2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 110790654
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
N-ethyl-3-[[[ethylamino-[2-(4-methylsulfonylphenyl)ethylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111613932
3-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313945
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
N-[2-(4-methoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27548654
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649
3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313883
N-[2-(4-ethylsulfonylphenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 110790716

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide (CID 110790612) is 3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide is Cc1cccc(C(=O)NCCc2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of 3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is LTFXDAYSZJHEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13-4-3-5-15(12-13)17(19)18-11-10-14-6-8-16(9-7-14)22(2,20)21/h3-9,12H,10-11H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide?
3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 317.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 110790612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).