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

C13H21N3O5S — CID 7828900

IUPAC2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C13H21N3O5S/c1-15(2)22(19,20)11-5-6-13(18)16(9-11)10-12(17)14-7-4-8-21-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,14,17)
InChIKeyYXBBGVJAMKZNRG-UHFFFAOYSA-N
MW331.39 g/mol
LogP-0.75
Rot. Bonds8

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

2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide (PubChem CID 7828900) has the molecular formula C13H21N3O5S and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide
PubChem CID7828900
Molecular FormulaC13H21N3O5S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC Name2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C13H21N3O5S/c1-15(2)22(19,20)11-5-6-13(18)16(9-11)10-12(17)14-7-4-8-21-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,14,17)
InChIKeyYXBBGVJAMKZNRG-UHFFFAOYSA-N
XLogP-0.75
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide (CID 7828900) is 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide?
The InChIKey is YXBBGVJAMKZNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5S/c1-15(2)22(19,20)11-5-6-13(18)16(9-11)10-12(17)14-7-4-8-21-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,14,17).
What are the key properties of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide?
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide has a molecular weight of 331.39 g/mol, XLogP of -0.75, 8 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-methoxypropyl)acetamide is sourced from PubChem (CID 7828900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).