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

C16H20N4O5S2 — CID 46821848

IUPAC2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(=O)NCCc2cccs2)c1
InChIInChI=1S/C16H20N4O5S2/c1-19(2)27(24,25)13-5-6-15(22)20(10-13)11-14(21)18-16(23)17-8-7-12-4-3-9-26-12/h3-6,9-10H,7-8,11H2,1-2H3,(H2,17,18,21,23)
InChIKeyXEPSSQCHYUEUJR-UHFFFAOYSA-N
MW412.49 g/mol
LogP0.23
Rot. Bonds7

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

2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 46821848) has the molecular formula C16H20N4O5S2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID46821848
Molecular FormulaC16H20N4O5S2
Molecular Weight412.49 g/mol
Exact Mass412.09
IUPAC Name2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(=O)NCCc2cccs2)c1
InChIInChI=1S/C16H20N4O5S2/c1-19(2)27(24,25)13-5-6-15(22)20(10-13)11-14(21)18-16(23)17-8-7-12-4-3-9-26-12/h3-6,9-10H,7-8,11H2,1-2H3,(H2,17,18,21,23)
InChIKeyXEPSSQCHYUEUJR-UHFFFAOYSA-N
XLogP0.23
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 51103389
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 7828884
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide
CID 7828901
2-(2,6-dimethylmorpholin-4-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202772
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16601381
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7828878
2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 38268580
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7828980
2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 95981495
2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27133290
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-sulfamoylphenyl)acetamide
CID 38932613
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 28594191

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 46821848) is 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(=O)NCCc2cccs2)c1.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is XEPSSQCHYUEUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S2/c1-19(2)27(24,25)13-5-6-15(22)20(10-13)11-14(21)18-16(23)17-8-7-12-4-3-9-26-12/h3-6,9-10H,7-8,11H2,1-2H3,(H2,17,18,21,23).
What are the key properties of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 412.49 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 46821848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).