2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide

C14H21N3O4S — CID 9399528

IUPAC2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O
InChIInChI=1S/C14H21N3O4S/c1-4-9-15-13(18)11-16-10-12(7-8-14(16)19)22(20,21)17(5-2)6-3/h4,7-8,10H,1,5-6,9,11H2,2-3H3,(H,15,18)
InChIKeyNJKSWESXUZGULZ-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.18
Rot. Bonds8

About 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide (PubChem CID 9399528) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide
PubChem CID9399528
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O
InChIInChI=1S/C14H21N3O4S/c1-4-9-15-13(18)11-16-10-12(7-8-14(16)19)22(20,21)17(5-2)6-3/h4,7-8,10H,1,5-6,9,11H2,2-3H3,(H,15,18)
InChIKeyNJKSWESXUZGULZ-UHFFFAOYSA-N
XLogP0.18
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide (CID 9399528) is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide is C=CCNC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide?
The InChIKey is NJKSWESXUZGULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-4-9-15-13(18)11-16-10-12(7-8-14(16)19)22(20,21)17(5-2)6-3/h4,7-8,10H,1,5-6,9,11H2,2-3H3,(H,15,18).
What are the key properties of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide?
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide has a molecular weight of 327.41 g/mol, XLogP of 0.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 9399528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).