2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide

C19H32N4O4S — CID 47035882

IUPAC2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCN2CCCCC2C)c1
InChIInChI=1S/C19H32N4O4S/c1-4-23(5-2)28(26,27)17-9-10-19(25)22(14-17)15-18(24)20-11-13-21-12-7-6-8-16(21)3/h9-10,14,16H,4-8,11-13,15H2,1-3H3,(H,20,24)
InChIKeyQOEMZXRNVOMSJO-UHFFFAOYSA-N
MW412.56 g/mol
LogP0.87
Rot. Bonds9

About 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide (PubChem CID 47035882) has the molecular formula C19H32N4O4S and a molecular weight of 412.56 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
PubChem CID47035882
Molecular FormulaC19H32N4O4S
Molecular Weight412.56 g/mol
Exact Mass412.21
IUPAC Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCN2CCCCC2C)c1
InChIInChI=1S/C19H32N4O4S/c1-4-23(5-2)28(26,27)17-9-10-19(25)22(14-17)15-18(24)20-11-13-21-12-7-6-8-16(21)3/h9-10,14,16H,4-8,11-13,15H2,1-3H3,(H,20,24)
InChIKeyQOEMZXRNVOMSJO-UHFFFAOYSA-N
XLogP0.87
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide (CID 47035882) is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCN2CCCCC2C)c1.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The InChIKey is QOEMZXRNVOMSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4S/c1-4-23(5-2)28(26,27)17-9-10-19(25)22(14-17)15-18(24)20-11-13-21-12-7-6-8-16(21)3/h9-10,14,16H,4-8,11-13,15H2,1-3H3,(H,20,24).
What are the key properties of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide has a molecular weight of 412.56 g/mol, XLogP of 0.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 47035882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).