2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide

C20H21N3O5S — CID 108806522

IUPAC2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
SMILESCc1cc(=O)cc(C)n1CC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H21N3O5S/c1-14-10-17(24)11-15(2)23(14)13-20(25)22-16-5-7-19(8-6-16)29(26,27)21-12-18-4-3-9-28-18/h3-11,21H,12-13H2,1-2H3,(H,22,25)
InChIKeyNCCYKWQAIQTDJH-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.18
Rot. Bonds7

About 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide (PubChem CID 108806522) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
PubChem CID108806522
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
SMILESCc1cc(=O)cc(C)n1CC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H21N3O5S/c1-14-10-17(24)11-15(2)23(14)13-20(25)22-16-5-7-19(8-6-16)29(26,27)21-12-18-4-3-9-28-18/h3-11,21H,12-13H2,1-2H3,(H,22,25)
InChIKeyNCCYKWQAIQTDJH-UHFFFAOYSA-N
XLogP2.18
TPSA110.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9203653
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide
CID 4968582
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]octanamide
CID 17147535
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 9203705
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 8615701
1-(3,5-dimethylphenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 25039568
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 108794988
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-phenoxyacetamide
CID 652012
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911419
N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794875
[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 169358880
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide (CID 108806522) is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide is Cc1cc(=O)cc(C)n1CC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?
The InChIKey is NCCYKWQAIQTDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-14-10-17(24)11-15(2)23(14)13-20(25)22-16-5-7-19(8-6-16)29(26,27)21-12-18-4-3-9-28-18/h3-11,21H,12-13H2,1-2H3,(H,22,25).
What are the key properties of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide has a molecular weight of 415.47 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 108806522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).