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

C13H21N3O4S — CID 7828899

IUPACN-butyl-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
SMILESCCCCNC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C13H21N3O4S/c1-4-5-8-14-12(17)10-16-9-11(6-7-13(16)18)21(19,20)15(2)3/h6-7,9H,4-5,8,10H2,1-3H3,(H,14,17)
InChIKeyFVEAAYZIYALQQW-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.01
Rot. Bonds7

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

N-butyl-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (PubChem CID 7828899) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-butyl-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
PubChem CID7828899
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC NameN-butyl-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
SMILESCCCCNC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C13H21N3O4S/c1-4-5-8-14-12(17)10-16-9-11(6-7-13(16)18)21(19,20)15(2)3/h6-7,9H,4-5,8,10H2,1-3H3,(H,14,17)
InChIKeyFVEAAYZIYALQQW-UHFFFAOYSA-N
XLogP0.01
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butyl-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]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 N-butyl-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-butyl-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (CID 7828899) is N-butyl-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-butyl-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-butyl-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is CCCCNC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O.
What is the InChIKey of N-butyl-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The InChIKey is FVEAAYZIYALQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-4-5-8-14-12(17)10-16-9-11(6-7-13(16)18)21(19,20)15(2)3/h6-7,9H,4-5,8,10H2,1-3H3,(H,14,17).
What are the key properties of N-butyl-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
N-butyl-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide has a molecular weight of 315.40 g/mol, XLogP of 0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 7828899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).