phenacyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate

C19H22N2O6S — CID 7977627

IUPACphenacyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)c2ccccc2)c1
InChIInChI=1S/C19H22N2O6S/c1-3-21(4-2)28(25,26)16-10-11-18(23)20(12-16)13-19(24)27-14-17(22)15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3
InChIKeyUJFIIOQNUYCUCC-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.30
Rot. Bonds9

About phenacyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate

phenacyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate (PubChem CID 7977627) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is phenacyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Namephenacyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate
PubChem CID7977627
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Namephenacyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)c2ccccc2)c1
InChIInChI=1S/C19H22N2O6S/c1-3-21(4-2)28(25,26)16-10-11-18(23)20(12-16)13-19(24)27-14-17(22)15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3
InChIKeyUJFIIOQNUYCUCC-UHFFFAOYSA-N
XLogP1.30
TPSA102.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-phenylacetamide
CID 43008462
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N,N-dipropylacetamide
CID 55400476
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 26809065
N,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide
CID 122508188
1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 38867319
N,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide
CID 30218825
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide
CID 9399528
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[furan-2-yl(phenyl)methyl]acetamide
CID 55384576
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 43005232
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 51215892
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-iodophenyl)acetamide
CID 16552124
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-fluorophenyl)acetamide
CID 7252285

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
The IUPAC name of phenacyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate (CID 7977627) is phenacyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for phenacyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for phenacyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)c2ccccc2)c1.
What is the InChIKey of phenacyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
The InChIKey is UJFIIOQNUYCUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-3-21(4-2)28(25,26)16-10-11-18(23)20(12-16)13-19(24)27-14-17(22)15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of phenacyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
phenacyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate has a molecular weight of 406.46 g/mol, XLogP of 1.30, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 7977627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).