3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide

C19H24N2O3S — CID 50945551

IUPAC3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S/c1-13(2)17-11-6-8-14(3)18(17)20-19(22)15-9-7-10-16(12-15)21(4)25(5,23)24/h6-13H,1-5H3,(H,20,22)
InChIKeyAUBOOQGAXPJLTD-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.77
Rot. Bonds5

About 3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide

3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide (PubChem CID 50945551) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
PubChem CID50945551
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S/c1-13(2)17-11-6-8-14(3)18(17)20-19(22)15-9-7-10-16(12-15)21(4)25(5,23)24/h6-13H,1-5H3,(H,20,22)
InChIKeyAUBOOQGAXPJLTD-UHFFFAOYSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100571722
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30464682
4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 107073896
3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 95119363
4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 46689119
1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109052582
2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 50944504
4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786544
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 18084160
N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 47001427
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 126413893
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide (CID 50945551) is 3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide is Cc1cccc(C(C)C)c1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1.
What is the InChIKey of 3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The InChIKey is AUBOOQGAXPJLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13(2)17-11-6-8-14(3)18(17)20-19(22)15-9-7-10-16(12-15)21(4)25(5,23)24/h6-13H,1-5H3,(H,20,22).
What are the key properties of 3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 50945551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).