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

C13H21N3O5S — CID 42986016

IUPAC2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C13H21N3O5S/c1-10(9-21-4)14-12(17)8-16-7-11(5-6-13(16)18)22(19,20)15(2)3/h5-7,10H,8-9H2,1-4H3,(H,14,17)
InChIKeySZPFQPOODXKMMP-UHFFFAOYSA-N
MW331.39 g/mol
LogP-0.75
Rot. Bonds7

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

2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 42986016) 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-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID42986016
Molecular FormulaC13H21N3O5S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC Name2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C13H21N3O5S/c1-10(9-21-4)14-12(17)8-16-7-11(5-6-13(16)18)22(19,20)15(2)3/h5-7,10H,8-9H2,1-4H3,(H,14,17)
InChIKeySZPFQPOODXKMMP-UHFFFAOYSA-N
XLogP-0.75
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(1-methoxypropan-2-yl)acetamide (CID 42986016) is 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is SZPFQPOODXKMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5S/c1-10(9-21-4)14-12(17)8-16-7-11(5-6-13(16)18)22(19,20)15(2)3/h5-7,10H,8-9H2,1-4H3,(H,14,17).
What are the key properties of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(1-methoxypropan-2-yl)acetamide?
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 331.39 g/mol, XLogP of -0.75, 7 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-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 42986016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).