2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,5-dimethoxyphenyl)acetamide

C24H26N2O6S — CID 1120551

IUPAC2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O6S/c1-4-32-23-13-9-8-12-21(23)26(33(28,29)19-10-6-5-7-11-19)17-24(27)25-20-16-18(30-2)14-15-22(20)31-3/h5-16H,4,17H2,1-3H3,(H,25,27)
InChIKeyWQYKBWBTQICIJL-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.94
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,5-dimethoxyphenyl)acetamide

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 1120551) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID1120551
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O6S/c1-4-32-23-13-9-8-12-21(23)26(33(28,29)19-10-6-5-7-11-19)17-24(27)25-20-16-18(30-2)14-15-22(20)31-3/h5-16H,4,17H2,1-3H3,(H,25,27)
InChIKeyWQYKBWBTQICIJL-UHFFFAOYSA-N
XLogP3.94
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,5-dimethoxyphenyl)acetamide (CID 1120551) is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,5-dimethoxyphenyl)acetamide is CCOc1ccccc1N(CC(=O)Nc1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is WQYKBWBTQICIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-4-32-23-13-9-8-12-21(23)26(33(28,29)19-10-6-5-7-11-19)17-24(27)25-20-16-18(30-2)14-15-22(20)31-3/h5-16H,4,17H2,1-3H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,5-dimethoxyphenyl)acetamide?
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 470.55 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1120551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).