N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(4-oxocinnolin-1-yl)acetamide

C24H20N4O6S — CID 25356563

IUPACN-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C24H20N4O6S/c29-21-14-25-28(20-4-2-1-3-19(20)21)15-24(30)26-16-5-7-17(8-6-16)27-35(31,32)18-9-10-22-23(13-18)34-12-11-33-22/h1-10,13-14,27H,11-12,15H2,(H,26,30)
InChIKeyOLZQRZLRSXZSKT-UHFFFAOYSA-N
MW492.51 g/mol
LogP2.61
Rot. Bonds6

About N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(4-oxocinnolin-1-yl)acetamide

N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 25356563) has the molecular formula C24H20N4O6S and a molecular weight of 492.51 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID25356563
Molecular FormulaC24H20N4O6S
Molecular Weight492.51 g/mol
Exact Mass492.11
IUPAC NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C24H20N4O6S/c29-21-14-25-28(20-4-2-1-3-19(20)21)15-24(30)26-16-5-7-17(8-6-16)27-35(31,32)18-9-10-22-23(13-18)34-12-11-33-22/h1-10,13-14,27H,11-12,15H2,(H,26,30)
InChIKeyOLZQRZLRSXZSKT-UHFFFAOYSA-N
XLogP2.61
TPSA128.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.51
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369041
3-amino-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]propanamide
CID 119270065
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55957035
N-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 75453687
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 20891980
2-[(2-chlorophenyl)methoxy]-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]acetamide
CID 55792296
N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 17466374
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 55719246
methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
CID 55709062
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51278884
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]oxane-4-carboxamide
CID 55376695

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(4-oxocinnolin-1-yl)acetamide (CID 25356563) is N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(4-oxocinnolin-1-yl)acetamide is O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is OLZQRZLRSXZSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O6S/c29-21-14-25-28(20-4-2-1-3-19(20)21)15-24(30)26-16-5-7-17(8-6-16)27-35(31,32)18-9-10-22-23(13-18)34-12-11-33-22/h1-10,13-14,27H,11-12,15H2,(H,26,30).
What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(4-oxocinnolin-1-yl)acetamide?
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 492.51 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 25356563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).