2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide

C26H24N2O3S — CID 51345227

IUPAC2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide
SMILESCc1cc(C)cc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C26H24N2O3S/c1-19-14-20(2)16-24(15-19)28(32(30,31)25-10-4-3-5-11-25)18-26(29)27-23-13-12-21-8-6-7-9-22(21)17-23/h3-17H,18H2,1-2H3,(H,27,29)
InChIKeyZZSQKKFVWPITAE-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.29
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide

2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide (PubChem CID 51345227) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide
PubChem CID51345227
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC Name2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide
SMILESCc1cc(C)cc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C26H24N2O3S/c1-19-14-20(2)16-24(15-19)28(32(30,31)25-10-4-3-5-11-25)18-26(29)27-23-13-12-21-8-6-7-9-22(21)17-23/h3-17H,18H2,1-2H3,(H,27,29)
InChIKeyZZSQKKFVWPITAE-UHFFFAOYSA-N
XLogP5.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetamide
CID 126137622
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide
CID 1357139
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-(4-bromo-3-methylphenyl)acetamide
CID 1337086
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-naphthalen-2-ylacetamide
CID 1103810
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 21372133
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide
CID 1372425
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 51345362
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 99942452
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-naphthalen-2-ylacetamide
CID 126139039
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
CID 30170737
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3,5-dimethylphenyl)acetamide
CID 998295
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide
CID 1288293

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide (CID 51345227) is 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide is Cc1cc(C)cc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide?
The InChIKey is ZZSQKKFVWPITAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-19-14-20(2)16-24(15-19)28(32(30,31)25-10-4-3-5-11-25)18-26(29)27-23-13-12-21-8-6-7-9-22(21)17-23/h3-17H,18H2,1-2H3,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide?
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide has a molecular weight of 444.56 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 51345227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).