2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide

C26H24N2O3S — CID 3966474

IUPAC2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc23)c2cccc(C)c2)cc1
InChIInChI=1S/C26H24N2O3S/c1-19-13-15-23(16-14-19)32(30,31)28(22-10-5-7-20(2)17-22)18-26(29)27-25-12-6-9-21-8-3-4-11-24(21)25/h3-17H,18H2,1-2H3,(H,27,29)
InChIKeyDYAAOMNCBZSKGF-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.29
Rot. Bonds6

About 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide

2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide (PubChem CID 3966474) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
PubChem CID3966474
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC Name2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc23)c2cccc(C)c2)cc1
InChIInChI=1S/C26H24N2O3S/c1-19-13-15-23(16-14-19)32(30,31)28(22-10-5-7-20(2)17-22)18-26(29)27-25-12-6-9-21-8-3-4-11-24(21)25/h3-17H,18H2,1-2H3,(H,27,29)
InChIKeyDYAAOMNCBZSKGF-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

2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 51345410
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide
CID 126387507
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 999545
N-(2-methoxyphenyl)-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126033775
N-(2-ethylsulfanylphenyl)-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 92681759
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide
CID 1252679
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 2279432
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 30172406
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 126148873
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43881129
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2,3-dichlorophenyl)acetamide
CID 126271164
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 126386851

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide (CID 3966474) is 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc23)c2cccc(C)c2)cc1.
What is the InChIKey of 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide?
The InChIKey is DYAAOMNCBZSKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-19-13-15-23(16-14-19)32(30,31)28(22-10-5-7-20(2)17-22)18-26(29)27-25-12-6-9-21-8-3-4-11-24(21)25/h3-17H,18H2,1-2H3,(H,27,29).
What are the key properties of 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide?
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-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-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 3966474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).