N-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide

C12H16BrNO3S — CID 112690775

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide
SMILESCc1cc(Br)cc(C)c1NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C12H16BrNO3S/c1-7-5-10(13)6-8(2)11(7)14-12(15)9(3)18(4,16)17/h5-6,9H,1-4H3,(H,14,15)
InChIKeyRFUOWRGSPDVQSO-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.44
Rot. Bonds3

About N-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide

N-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide (PubChem CID 112690775) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide
PubChem CID112690775
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide
SMILESCc1cc(Br)cc(C)c1NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C12H16BrNO3S/c1-7-5-10(13)6-8(2)11(7)14-12(15)9(3)18(4,16)17/h5-6,9H,1-4H3,(H,14,15)
InChIKeyRFUOWRGSPDVQSO-UHFFFAOYSA-N
XLogP2.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-(2-methylsulfonylpropanoylamino)benzoic acid
CID 113421883
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 112697409
(2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide
CID 94024925
2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4960970
5-bromo-2-(2-methylsulfonylpropanoylamino)benzoic acid
CID 104517555
N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
CID 61024834
(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide
CID 61147133
2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide
CID 43116694
2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 4657987
N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide
CID 104667456
N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide
CID 880666
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide
CID 43163865

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide (CID 112690775) is N-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide is Cc1cc(Br)cc(C)c1NC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide?
The InChIKey is RFUOWRGSPDVQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c1-7-5-10(13)6-8(2)11(7)14-12(15)9(3)18(4,16)17/h5-6,9H,1-4H3,(H,14,15).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide?
N-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide has a molecular weight of 334.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 112690775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).