2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide

C26H24N2O4S — CID 3906228

IUPAC2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc34)cc2)cc1C
InChIInChI=1S/C26H24N2O4S/c1-18-10-11-21(16-19(18)2)28-33(30,31)23-14-12-22(13-15-23)32-17-26(29)27-25-9-5-7-20-6-3-4-8-24(20)25/h3-16,28H,17H2,1-2H3,(H,27,29)
InChIKeyGCIFIYCVISKSEB-UHFFFAOYSA-N
MW460.56 g/mol
LogP5.27
Rot. Bonds7

About 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide

2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide (PubChem CID 3906228) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
PubChem CID3906228
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC Name2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc34)cc2)cc1C
InChIInChI=1S/C26H24N2O4S/c1-18-10-11-21(16-19(18)2)28-33(30,31)23-14-12-22(13-15-23)32-17-26(29)27-25-9-5-7-20-6-3-4-8-24(20)25/h3-16,28H,17H2,1-2H3,(H,27,29)
InChIKeyGCIFIYCVISKSEB-UHFFFAOYSA-N
XLogP5.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 3265403
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 126393350
N-(2,4-dimethoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 126390204
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 4015513
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(2-methyl-5-nitrophenyl)acetamide
CID 3879058
N-(3,4-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3435496
N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 126383436
N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4241232
N-(3,4-difluorophenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553221
N-(3,4-dimethylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126394722
2-(3,5-dimethylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4510841
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 27186819

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide (CID 3906228) is 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide is Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc34)cc2)cc1C.
What is the InChIKey of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide?
The InChIKey is GCIFIYCVISKSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-18-10-11-21(16-19(18)2)28-33(30,31)23-14-12-22(13-15-23)32-17-26(29)27-25-9-5-7-20-6-3-4-8-24(20)25/h3-16,28H,17H2,1-2H3,(H,27,29).
What are the key properties of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide?
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide has a molecular weight of 460.56 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 3906228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).