N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide

C19H20N4O5S — CID 55957035

IUPACN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cc1OC
InChIInChI=1S/C19H20N4O5S/c1-3-29(26,27)22-15-9-8-13(10-18(15)28-2)21-19(25)12-23-16-7-5-4-6-14(16)17(24)11-20-23/h4-11,22H,3,12H2,1-2H3,(H,21,25)
InChIKeyCNWYLHJMOMBCQA-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.81
Rot. Bonds7

About N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide

N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 55957035) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID55957035
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cc1OC
InChIInChI=1S/C19H20N4O5S/c1-3-29(26,27)22-15-9-8-13(10-18(15)28-2)21-19(25)12-23-16-7-5-4-6-14(16)17(24)11-20-23/h4-11,22H,3,12H2,1-2H3,(H,21,25)
InChIKeyCNWYLHJMOMBCQA-UHFFFAOYSA-N
XLogP1.81
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 87028673
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55413086
methyl 2-chloro-5-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 134003459
N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55905258
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 55415120
methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
CID 55709062
N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide
CID 134008602
3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide
CID 9084630
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide
CID 119739337
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,2-diphenylacetamide
CID 60552778
3-benzyl-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-4-oxophthalazine-1-carboxamide
CID 55948467

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide (CID 55957035) is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide is CCS(=O)(=O)Nc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cc1OC.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is CNWYLHJMOMBCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-3-29(26,27)22-15-9-8-13(10-18(15)28-2)21-19(25)12-23-16-7-5-4-6-14(16)17(24)11-20-23/h4-11,22H,3,12H2,1-2H3,(H,21,25).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide?
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 416.46 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 55957035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).