N-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide

C18H22BrN3O4S — CID 16546169

IUPACN-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C18H22BrN3O4S/c1-4-22(5-2)27(25,26)15-7-9-18(24)21(11-15)12-17(23)20-16-8-6-14(19)10-13(16)3/h6-11H,4-5,12H2,1-3H3,(H,20,23)
InChIKeyQMBWUVZWYQFIRD-UHFFFAOYSA-N
MW456.36 g/mol
LogP2.59
Rot. Bonds7

About N-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide

N-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (PubChem CID 16546169) has the molecular formula C18H22BrN3O4S and a molecular weight of 456.36 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
PubChem CID16546169
Molecular FormulaC18H22BrN3O4S
Molecular Weight456.36 g/mol
Exact Mass455.05
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C18H22BrN3O4S/c1-4-22(5-2)27(25,26)15-7-9-18(24)21(11-15)12-17(23)20-16-8-6-14(19)10-13(16)3/h6-11H,4-5,12H2,1-3H3,(H,20,23)
InChIKeyQMBWUVZWYQFIRD-UHFFFAOYSA-N
XLogP2.59
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4-difluorophenyl)acetamide
CID 7252313
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 41114327
N-(4-chloro-2-fluorophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16552949
N-(5-chloro-2-fluorophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7252282
N-(4-chloro-2-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7828841
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,4-dimethylphenyl)acetamide
CID 18085754
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-iodophenyl)acetamide
CID 16552124
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 26719575
N-(5-chloro-2-methoxyphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16548528
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-fluorophenyl)acetamide
CID 7252285
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 30969513
N-(4-cyanophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16552503

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (CID 16546169) is N-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(Br)cc2C)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The InChIKey is QMBWUVZWYQFIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O4S/c1-4-22(5-2)27(25,26)15-7-9-18(24)21(11-15)12-17(23)20-16-8-6-14(19)10-13(16)3/h6-11H,4-5,12H2,1-3H3,(H,20,23).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
N-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide has a molecular weight of 456.36 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 16546169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).