2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide

C16H24N6O4S2 — CID 56576175

IUPAC2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2n[nH]c(=S)n2CC)c1
InChIInChI=1S/C16H24N6O4S2/c1-4-21(5-2)28(25,26)12-7-8-15(24)20(10-12)11-14(23)17-9-13-18-19-16(27)22(13)6-3/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,23)(H,19,27)
InChIKeyAEEZBYLWZIHGQF-UHFFFAOYSA-N
MW428.54 g/mol
LogP0.47
Rot. Bonds9

About 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 56576175) has the molecular formula C16H24N6O4S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID56576175
Molecular FormulaC16H24N6O4S2
Molecular Weight428.54 g/mol
Exact Mass428.13
IUPAC Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2n[nH]c(=S)n2CC)c1
InChIInChI=1S/C16H24N6O4S2/c1-4-21(5-2)28(25,26)12-7-8-15(24)20(10-12)11-14(23)17-9-13-18-19-16(27)22(13)6-3/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,23)(H,19,27)
InChIKeyAEEZBYLWZIHGQF-UHFFFAOYSA-N
XLogP0.47
TPSA122.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide 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

5-(diethylsulfamoyl)-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide
CID 56543559
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide
CID 9399528
N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 9401741
N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 56544009
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 27532874
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 37362916
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,N-dipropylacetamide
CID 55400476
N-(4-cyanophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16552503
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 47035955
N-(3-cyclopentylpropyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 30806622

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide (CID 56576175) is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2n[nH]c(=S)n2CC)c1.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is AEEZBYLWZIHGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O4S2/c1-4-21(5-2)28(25,26)12-7-8-15(24)20(10-12)11-14(23)17-9-13-18-19-16(27)22(13)6-3/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,23)(H,19,27).
What are the key properties of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide?
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 428.54 g/mol, XLogP of 0.47, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 56576175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).