4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide

C13H20N2O3S — CID 79551946

IUPAC4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCc1cc(N)ccc1C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-9-7-10(14)5-6-11(9)12(16)15-8-13(2,3)19(4,17)18/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyOBMRMMPRGSYAEC-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.13
Rot. Bonds4

About 4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide

4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide (PubChem CID 79551946) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
PubChem CID79551946
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCc1cc(N)ccc1C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-9-7-10(14)5-6-11(9)12(16)15-8-13(2,3)19(4,17)18/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyOBMRMMPRGSYAEC-UHFFFAOYSA-N
XLogP1.13
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79552037
4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide
CID 83108050
2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551334
4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 103830101
4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzamide
CID 107843435
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
CID 107316298
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide
CID 106095391
5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79555934
4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79558034
N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide
CID 79559148
2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550785

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The IUPAC name of 4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide (CID 79551946) is 4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide.
What is the SMILES notation for 4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The canonical SMILES for 4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide is Cc1cc(N)ccc1C(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The InChIKey is OBMRMMPRGSYAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-7-10(14)5-6-11(9)12(16)15-8-13(2,3)19(4,17)18/h5-7H,8,14H2,1-4H3,(H,15,16).
What are the key properties of 4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide has a molecular weight of 284.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide is sourced from PubChem (CID 79551946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).