2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide

C19H17BrN2O4S — CID 52681070

IUPAC2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)COc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C19H17BrN2O4S/c20-16-6-4-15-10-17(7-5-14(15)9-16)26-12-19(23)22-11-13-2-1-3-18(8-13)27(21,24)25/h1-10H,11-12H2,(H,22,23)(H2,21,24,25)
InChIKeyXQDXHZNFXOITJD-UHFFFAOYSA-N
MW449.33 g/mol
LogP2.94
Rot. Bonds6

About 2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide

2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide (PubChem CID 52681070) has the molecular formula C19H17BrN2O4S and a molecular weight of 449.33 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide
PubChem CID52681070
Molecular FormulaC19H17BrN2O4S
Molecular Weight449.33 g/mol
Exact Mass448.01
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)COc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C19H17BrN2O4S/c20-16-6-4-15-10-17(7-5-14(15)9-16)26-12-19(23)22-11-13-2-1-3-18(8-13)27(21,24)25/h1-10H,11-12H2,(H,22,23)(H2,21,24,25)
InChIKeyXQDXHZNFXOITJD-UHFFFAOYSA-N
XLogP2.94
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 166221897
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
2-(6-bromonaphthalen-2-yl)oxy-N-[(4-chlorophenyl)methyl]acetamide
CID 7786789
N-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 7786702
5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide
CID 55852739
N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 55577664
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492
4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide
CID 55665561
3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide
CID 55641528
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 17071181
2-(4-chloro-2-methylphenoxy)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 31916474
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide (CID 52681070) is 2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1cccc(CNC(=O)COc2ccc3cc(Br)ccc3c2)c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide?
The InChIKey is XQDXHZNFXOITJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O4S/c20-16-6-4-15-10-17(7-5-14(15)9-16)26-12-19(23)22-11-13-2-1-3-18(8-13)27(21,24)25/h1-10H,11-12H2,(H,22,23)(H2,21,24,25).
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide?
2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide has a molecular weight of 449.33 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 52681070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).