2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide

C19H25N3O5S — CID 24629932

IUPAC2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCCOCc2ccccc2)c1
InChIInChI=1S/C19H25N3O5S/c1-21(2)28(25,26)17-9-10-19(24)22(13-17)14-18(23)20-11-6-12-27-15-16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3,(H,20,23)
InChIKeySZHLHAHKUMDJSD-UHFFFAOYSA-N
MW407.49 g/mol
LogP0.82
Rot. Bonds10

About 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide

2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide (PubChem CID 24629932) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide
PubChem CID24629932
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCCOCc2ccccc2)c1
InChIInChI=1S/C19H25N3O5S/c1-21(2)28(25,26)17-9-10-19(24)22(13-17)14-18(23)20-11-6-12-27-15-16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3,(H,20,23)
InChIKeySZHLHAHKUMDJSD-UHFFFAOYSA-N
XLogP0.82
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide (CID 24629932) is 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide is CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCCOCc2ccccc2)c1.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide?
The InChIKey is SZHLHAHKUMDJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-21(2)28(25,26)17-9-10-19(24)22(13-17)14-18(23)20-11-6-12-27-15-16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3,(H,20,23).
What are the key properties of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide?
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide has a molecular weight of 407.49 g/mol, XLogP of 0.82, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide is sourced from PubChem (CID 24629932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).