2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide

C13H19BrN2O3S — CID 21156556

IUPAC2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNS(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O3S/c1-10(2)7-15-13(17)8-16-20(18,19)9-11-3-5-12(14)6-4-11/h3-6,10,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyFNGHHRFDECAEBE-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.64
Rot. Bonds7

About 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide

2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide (PubChem CID 21156556) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide
PubChem CID21156556
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNS(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O3S/c1-10(2)7-15-13(17)8-16-20(18,19)9-11-3-5-12(14)6-4-11/h3-6,10,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyFNGHHRFDECAEBE-UHFFFAOYSA-N
XLogP1.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 112990736
2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 22301501
2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide
CID 22300057
2-[[(4-bromophenyl)methylsulfonylamino]methyl]-4-methylpentanoic acid
CID 120660662
2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 22299884
1-(4-bromophenyl)-N-(2-cyanopropyl)methanesulfonamide
CID 71916140
2-[(4-bromophenyl)methylsulfonyl]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120830337
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 27209258
2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide
CID 22299888
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylsulfonylamino]acetamide
CID 110285326
2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide
CID 106997106
2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
CID 21156472

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide (CID 21156556) is 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNS(=O)(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is FNGHHRFDECAEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-10(2)7-15-13(17)8-16-20(18,19)9-11-3-5-12(14)6-4-11/h3-6,10,16H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide?
2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 363.28 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 21156556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).