2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide

C20H18BrNO4S — CID 37027688

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C20H18BrNO4S/c1-2-27(24,25)16-10-8-15(9-11-16)22-19(23)13-26-18-12-7-14-5-3-4-6-17(14)20(18)21/h3-12H,2,13H2,1H3,(H,22,23)
InChIKeyGDEFDQMAKKJJKG-UHFFFAOYSA-N
MW448.34 g/mol
LogP4.41
Rot. Bonds6

About 2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide (PubChem CID 37027688) has the molecular formula C20H18BrNO4S and a molecular weight of 448.34 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide
PubChem CID37027688
Molecular FormulaC20H18BrNO4S
Molecular Weight448.34 g/mol
Exact Mass447.01
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C20H18BrNO4S/c1-2-27(24,25)16-10-8-15(9-11-16)22-19(23)13-26-18-12-7-14-5-3-4-6-17(14)20(18)21/h3-12H,2,13H2,1H3,(H,22,23)
InChIKeyGDEFDQMAKKJJKG-UHFFFAOYSA-N
XLogP4.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.34
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-(4-sulfamoylphenyl)acetamide
CID 1186575
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide
CID 24605889
2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340204
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide
CID 17218734
2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782679
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 3330697
2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021804
N-[3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]phenyl]-2-methylpropanamide
CID 17189164
N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 3387456
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide (CID 37027688) is 2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is GDEFDQMAKKJJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO4S/c1-2-27(24,25)16-10-8-15(9-11-16)22-19(23)13-26-18-12-7-14-5-3-4-6-17(14)20(18)21/h3-12H,2,13H2,1H3,(H,22,23).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 448.34 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 37027688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).