2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide

C25H28N2O5S — CID 2287610

IUPAC2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCCOc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-3-31-22-15-11-21(12-16-22)27(33(29,30)24-7-5-4-6-8-24)19-25(28)26-17-18-32-23-13-9-20(2)10-14-23/h4-16H,3,17-19H2,1-2H3,(H,26,28)
InChIKeyZNNARAAQVMYMFT-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.78
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide (PubChem CID 2287610) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide
PubChem CID2287610
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCCOc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-3-31-22-15-11-21(12-16-22)27(33(29,30)24-7-5-4-6-8-24)19-25(28)26-17-18-32-23-13-9-20(2)10-14-23/h4-16H,3,17-19H2,1-2H3,(H,26,28)
InChIKeyZNNARAAQVMYMFT-UHFFFAOYSA-N
XLogP3.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.78
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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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide (CID 2287610) is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide is CCOc1ccc(N(CC(=O)NCCOc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide?
The InChIKey is ZNNARAAQVMYMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-3-31-22-15-11-21(12-16-22)27(33(29,30)24-7-5-4-6-8-24)19-25(28)26-17-18-32-23-13-9-20(2)10-14-23/h4-16H,3,17-19H2,1-2H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide?
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 3.78, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 2287610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).