3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide

C18H22N4O6S — CID 55578752

IUPAC3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CCC(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H22N4O6S/c1-3-21(4-2)29(27,28)14-9-10-18(24)20(13-14)12-11-17(23)19-15-7-5-6-8-16(15)22(25)26/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,23)
InChIKeyRZOKHAHHOLGIGZ-UHFFFAOYSA-N
MW422.46 g/mol
LogP1.82
Rot. Bonds9

About 3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide

3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide (PubChem CID 55578752) has the molecular formula C18H22N4O6S and a molecular weight of 422.46 g/mol. Its IUPAC name is 3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide
PubChem CID55578752
Molecular FormulaC18H22N4O6S
Molecular Weight422.46 g/mol
Exact Mass422.13
IUPAC Name3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CCC(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H22N4O6S/c1-3-21(4-2)29(27,28)14-9-10-18(24)20(13-14)12-11-17(23)19-15-7-5-6-8-16(15)22(25)26/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,23)
InChIKeyRZOKHAHHOLGIGZ-UHFFFAOYSA-N
XLogP1.82
TPSA131.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide
CID 52569963
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-ethyl-3-nitrophenyl)acetamide
CID 30839874
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 26719575
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-nitroanilino)propanamide
CID 16962406
4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide
CID 2907877
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-nitroanilino)propanamide
CID 16962896
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(2-nitroanilino)propanamide
CID 16962374
3-(1,3-dioxoisoindol-2-yl)-N-(2-nitrophenyl)propanamide
CID 2788208
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 41114327
3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide
CID 19568122
N-(5-chloro-2-fluorophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7252282
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4-difluorophenyl)acetamide
CID 7252313

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide?
The IUPAC name of 3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide (CID 55578752) is 3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for 3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide?
The canonical SMILES for 3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CCC(=O)Nc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide?
The InChIKey is RZOKHAHHOLGIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6S/c1-3-21(4-2)29(27,28)14-9-10-18(24)20(13-14)12-11-17(23)19-15-7-5-6-8-16(15)22(25)26/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,23).
What are the key properties of 3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide?
3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide has a molecular weight of 422.46 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 55578752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).