2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C26H29N3O7S2 — CID 992811

IUPAC2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H29N3O7S2/c1-2-36-25-11-7-6-10-24(25)29(38(33,34)22-8-4-3-5-9-22)20-26(30)27-21-12-14-23(15-13-21)37(31,32)28-16-18-35-19-17-28/h3-15H,2,16-20H2,1H3,(H,27,30)
InChIKeyNAGBEWWMGPIYQK-UHFFFAOYSA-N
MW559.67 g/mol
LogP2.94
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 992811) has the molecular formula C26H29N3O7S2 and a molecular weight of 559.67 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID992811
Molecular FormulaC26H29N3O7S2
Molecular Weight559.67 g/mol
Exact Mass559.14
IUPAC Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H29N3O7S2/c1-2-36-25-11-7-6-10-24(25)29(38(33,34)22-8-4-3-5-9-22)20-26(30)27-21-12-14-23(15-13-21)37(31,32)28-16-18-35-19-17-28/h3-15H,2,16-20H2,1H3,(H,27,30)
InChIKeyNAGBEWWMGPIYQK-UHFFFAOYSA-N
XLogP2.94
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.67
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 992811) is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is NAGBEWWMGPIYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O7S2/c1-2-36-25-11-7-6-10-24(25)29(38(33,34)22-8-4-3-5-9-22)20-26(30)27-21-12-14-23(15-13-21)37(31,32)28-16-18-35-19-17-28/h3-15H,2,16-20H2,1H3,(H,27,30).
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 559.67 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 992811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).