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

C17H19BrN2O4S — CID 22299888

IUPAC2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CNS(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O4S/c1-2-24-16-6-4-3-5-15(16)20-17(21)11-19-25(22,23)12-13-7-9-14(18)10-8-13/h3-10,19H,2,11-12H2,1H3,(H,20,21)
InChIKeyCONQPABPVNOKGF-UHFFFAOYSA-N
MW427.32 g/mol
LogP2.91
Rot. Bonds8

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

2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide (PubChem CID 22299888) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide
PubChem CID22299888
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC Name2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CNS(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O4S/c1-2-24-16-6-4-3-5-15(16)20-17(21)11-19-25(22,23)12-13-7-9-14(18)10-8-13/h3-10,19H,2,11-12H2,1H3,(H,20,21)
InChIKeyCONQPABPVNOKGF-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-bromoanilino)-N-(2-ethoxyphenyl)acetamide
CID 7535577
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 9263568
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140411
2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide
CID 22300057
N-(2-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 112998822
N-(2-ethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 112998830
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 21212223
CID 174193763
CID 174193763
N-(2-ethoxyphenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358452
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide (CID 22299888) is 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CNS(=O)(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is CONQPABPVNOKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-2-24-16-6-4-3-5-15(16)20-17(21)11-19-25(22,23)12-13-7-9-14(18)10-8-13/h3-10,19H,2,11-12H2,1H3,(H,20,21).
What are the key properties of 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide?
2-[(4-bromophenyl)methylsulfonylamino]-N-(2-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-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 22299888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).