2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methoxyphenyl)acetamide

C22H22N2O5S — CID 1106405

IUPAC2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H22N2O5S/c1-28-20-14-8-6-12-18(20)23-22(25)16-24(19-13-7-9-15-21(19)29-2)30(26,27)17-10-4-3-5-11-17/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyZGNWKRLGYCHTLT-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.54
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methoxyphenyl)acetamide

2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methoxyphenyl)acetamide (PubChem CID 1106405) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methoxyphenyl)acetamide
PubChem CID1106405
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H22N2O5S/c1-28-20-14-8-6-12-18(20)23-22(25)16-24(19-13-7-9-15-21(19)29-2)30(26,27)17-10-4-3-5-11-17/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyZGNWKRLGYCHTLT-UHFFFAOYSA-N
XLogP3.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methoxyphenyl)acetamide (CID 1106405) is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is ZGNWKRLGYCHTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-28-20-14-8-6-12-18(20)23-22(25)16-24(19-13-7-9-15-21(19)29-2)30(26,27)17-10-4-3-5-11-17/h3-15H,16H2,1-2H3,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methoxyphenyl)acetamide?
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 426.49 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 1106405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).