2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C18H28BrN3O3S — CID 2233782

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCN(CC(=O)NC1CC(C)(C)NC(C)(C)C1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H28BrN3O3S/c1-17(2)10-14(11-18(3,4)21-17)20-16(23)12-22(5)26(24,25)15-8-6-13(19)7-9-15/h6-9,14,21H,10-12H2,1-5H3,(H,20,23)
InChIKeyFYECOOLJIZEION-UHFFFAOYSA-N
MW446.41 g/mol
LogP2.49
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 2233782) has the molecular formula C18H28BrN3O3S and a molecular weight of 446.41 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID2233782
Molecular FormulaC18H28BrN3O3S
Molecular Weight446.41 g/mol
Exact Mass445.10
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCN(CC(=O)NC1CC(C)(C)NC(C)(C)C1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H28BrN3O3S/c1-17(2)10-14(11-18(3,4)21-17)20-16(23)12-22(5)26(24,25)15-8-6-13(19)7-9-15/h6-9,14,21H,10-12H2,1-5H3,(H,20,23)
InChIKeyFYECOOLJIZEION-UHFFFAOYSA-N
XLogP2.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 2233782) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CN(CC(=O)NC1CC(C)(C)NC(C)(C)C1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is FYECOOLJIZEION-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN3O3S/c1-17(2)10-14(11-18(3,4)21-17)20-16(23)12-22(5)26(24,25)15-8-6-13(19)7-9-15/h6-9,14,21H,10-12H2,1-5H3,(H,20,23).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 446.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 2233782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).