2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide

C18H22N2O3S — CID 43037445

IUPAC2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)NC(C)c2ccccc2C)c1
InChIInChI=1S/C18H22N2O3S/c1-12-7-5-6-8-16(12)14(3)20-18(21)17-11-15(10-9-13(17)2)24(22,23)19-4/h5-11,14,19H,1-4H3,(H,20,21)
InChIKeyMRHLRGISTCMAJT-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.70
Rot. Bonds5

About 2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide

2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide (PubChem CID 43037445) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide
PubChem CID43037445
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)NC(C)c2ccccc2C)c1
InChIInChI=1S/C18H22N2O3S/c1-12-7-5-6-8-16(12)14(3)20-18(21)17-11-15(10-9-13(17)2)24(22,23)19-4/h5-11,14,19H,1-4H3,(H,20,21)
InChIKeyMRHLRGISTCMAJT-UHFFFAOYSA-N
XLogP2.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-fluorophenyl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 51928644
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 51164465
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 65311896
N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
CID 42940283
2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide
CID 30804825
5-(cyclopropylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-2-methylbenzamide
CID 18131994
N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide
CID 100621234
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 51324001
3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide
CID 35804401
5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 6463060
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide?
The IUPAC name of 2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide (CID 43037445) is 2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C)c(C(=O)NC(C)c2ccccc2C)c1.
What is the InChIKey of 2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide?
The InChIKey is MRHLRGISTCMAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-7-5-6-8-16(12)14(3)20-18(21)17-11-15(10-9-13(17)2)24(22,23)19-4/h5-11,14,19H,1-4H3,(H,20,21).
What are the key properties of 2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide?
2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 43037445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).