2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide

C24H27N3O3S2 — CID 51343913

IUPAC2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C24H27N3O3S2/c1-18-8-11-21(12-9-18)32(29,30)27(22-16-19(2)7-10-20(22)3)17-23(28)25-14-15-31-24-6-4-5-13-26-24/h4-13,16H,14-15,17H2,1-3H3,(H,25,28)
InChIKeyJOFNBHQKIZVFMA-UHFFFAOYSA-N
MW469.63 g/mol
LogP4.11
Rot. Bonds9

About 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide

2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide (PubChem CID 51343913) has the molecular formula C24H27N3O3S2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
PubChem CID51343913
Molecular FormulaC24H27N3O3S2
Molecular Weight469.63 g/mol
Exact Mass469.15
IUPAC Name2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C24H27N3O3S2/c1-18-8-11-21(12-9-18)32(29,30)27(22-16-19(2)7-10-20(22)3)17-23(28)25-14-15-31-24-6-4-5-13-26-24/h4-13,16H,14-15,17H2,1-3H3,(H,25,28)
InChIKeyJOFNBHQKIZVFMA-UHFFFAOYSA-N
XLogP4.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 2266421
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 51344639
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51343907
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 2284779
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[(2-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30212193
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30212134
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133229047
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 846688
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890127
2-(2-bromo-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 2276018
N-[(2S)-butan-2-yl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2272420
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30212131

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The IUPAC name of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide (CID 51343913) is 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The canonical SMILES for 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c2cc(C)ccc2C)cc1.
What is the InChIKey of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The InChIKey is JOFNBHQKIZVFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S2/c1-18-8-11-21(12-9-18)32(29,30)27(22-16-19(2)7-10-20(22)3)17-23(28)25-14-15-31-24-6-4-5-13-26-24/h4-13,16H,14-15,17H2,1-3H3,(H,25,28).
What are the key properties of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide has a molecular weight of 469.63 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide is sourced from PubChem (CID 51343913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).