2-(2-amino-2-methylpropyl)sulfonyl-N-(4-bromophenyl)acetamide

C12H17BrN2O3S — CID 81188212

IUPAC2-(2-amino-2-methylpropyl)sulfonyl-N-(4-bromophenyl)acetamide
SMILESCC(C)(N)CS(=O)(=O)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O3S/c1-12(2,14)8-19(17,18)7-11(16)15-10-5-3-9(13)4-6-10/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyCESICVVUTIZGKL-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.54
Rot. Bonds5

About 2-(2-amino-2-methylpropyl)sulfonyl-N-(4-bromophenyl)acetamide

2-(2-amino-2-methylpropyl)sulfonyl-N-(4-bromophenyl)acetamide (PubChem CID 81188212) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfonyl-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfonyl-N-(4-bromophenyl)acetamide
PubChem CID81188212
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name2-(2-amino-2-methylpropyl)sulfonyl-N-(4-bromophenyl)acetamide
SMILESCC(C)(N)CS(=O)(=O)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O3S/c1-12(2,14)8-19(17,18)7-11(16)15-10-5-3-9(13)4-6-10/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyCESICVVUTIZGKL-UHFFFAOYSA-N
XLogP1.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-bromoanilino)-2-oxoethyl]sulfonylacetic acid
CID 24695260
2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 66230911
N'-(4-bromophenyl)propanediamide
CID 15154636
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide
CID 82179944
2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide
CID 4806491
2-[(4-bromophenyl)methylsulfonyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 112826325
3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide
CID 56603857
3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 64683356
N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954637
[2-(4-bromoanilino)-2-oxoethyl]azanium
CID 4745313

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfonyl-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfonyl-N-(4-bromophenyl)acetamide (CID 81188212) is 2-(2-amino-2-methylpropyl)sulfonyl-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfonyl-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfonyl-N-(4-bromophenyl)acetamide is CC(C)(N)CS(=O)(=O)CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfonyl-N-(4-bromophenyl)acetamide?
The InChIKey is CESICVVUTIZGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-12(2,14)8-19(17,18)7-11(16)15-10-5-3-9(13)4-6-10/h3-6H,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-amino-2-methylpropyl)sulfonyl-N-(4-bromophenyl)acetamide?
2-(2-amino-2-methylpropyl)sulfonyl-N-(4-bromophenyl)acetamide has a molecular weight of 349.25 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfonyl-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 81188212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).