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

C17H19BrN2O4S — CID 22299884

IUPAC2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CNS(=O)(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O4S/c1-2-24-16-9-7-15(8-10-16)20-17(21)11-19-25(22,23)12-13-3-5-14(18)6-4-13/h3-10,19H,2,11-12H2,1H3,(H,20,21)
InChIKeyLVGGAHYGRJYNSJ-UHFFFAOYSA-N
MW427.32 g/mol
LogP2.91
Rot. Bonds8

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

2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide (PubChem CID 22299884) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide
PubChem CID22299884
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC Name2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CNS(=O)(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O4S/c1-2-24-16-9-7-15(8-10-16)20-17(21)11-19-25(22,23)12-13-3-5-14(18)6-4-13/h3-10,19H,2,11-12H2,1H3,(H,20,21)
InChIKeyLVGGAHYGRJYNSJ-UHFFFAOYSA-N
XLogP2.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858
2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide
CID 22300057
2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide
CID 22299888
2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 22300310
2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide
CID 22300398
(4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium
CID 9040303
N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide
CID 112998471
N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112998475
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
2-[(4-bromophenyl)methylsulfonylamino]-N-(3-chlorophenyl)acetamide
CID 22300056
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 112998873

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide (CID 22299884) is 2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CNS(=O)(=O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is LVGGAHYGRJYNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-2-24-16-9-7-15(8-10-16)20-17(21)11-19-25(22,23)12-13-3-5-14(18)6-4-13/h3-10,19H,2,11-12H2,1H3,(H,20,21).
What are the key properties of 2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide?
2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 427.32 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 22299884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).