2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide

C22H23BrN2O4S — CID 37252608

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNC(=O)COc2ccc3ccccc3c2Br)c1
InChIInChI=1S/C22H23BrN2O4S/c1-15(2)25-30(27,28)18-8-5-6-16(12-18)13-24-21(26)14-29-20-11-10-17-7-3-4-9-19(17)22(20)23/h3-12,15,25H,13-14H2,1-2H3,(H,24,26)
InChIKeyNTGPJRCPZKEBAR-UHFFFAOYSA-N
MW491.41 g/mol
LogP3.98
Rot. Bonds8

About 2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 37252608) has the molecular formula C22H23BrN2O4S and a molecular weight of 491.41 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide
PubChem CID37252608
Molecular FormulaC22H23BrN2O4S
Molecular Weight491.41 g/mol
Exact Mass490.06
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNC(=O)COc2ccc3ccccc3c2Br)c1
InChIInChI=1S/C22H23BrN2O4S/c1-15(2)25-30(27,28)18-8-5-6-16(12-18)13-24-21(26)14-29-20-11-10-17-7-3-4-9-19(17)22(20)23/h3-12,15,25H,13-14H2,1-2H3,(H,24,26)
InChIKeyNTGPJRCPZKEBAR-UHFFFAOYSA-N
XLogP3.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 37004225
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 3387456
N-[3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]phenyl]-2-methylpropanamide
CID 17189164
N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide
CID 46585360
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide
CID 37006365
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(1-bromonaphthalen-2-yl)oxy-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154684
3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide
CID 91202186
2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide
CID 37027688
N-[(4-methylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 1319379

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide (CID 37252608) is 2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide is CC(C)NS(=O)(=O)c1cccc(CNC(=O)COc2ccc3ccccc3c2Br)c1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is NTGPJRCPZKEBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O4S/c1-15(2)25-30(27,28)18-8-5-6-16(12-18)13-24-21(26)14-29-20-11-10-17-7-3-4-9-19(17)22(20)23/h3-12,15,25H,13-14H2,1-2H3,(H,24,26).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 491.41 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 37252608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).