2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide

C22H29N3O6S — CID 43056029

IUPAC2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C22H29N3O6S/c1-3-25(4-2)32(28,29)20-10-11-22(27)24(14-20)15-21(26)23-17-7-5-8-18(13-17)31-16-19-9-6-12-30-19/h5,7-8,10-11,13-14,19H,3-4,6,9,12,15-16H2,1-2H3,(H,23,26)
InChIKeyRURCWADEAIYBJL-UHFFFAOYSA-N
MW463.56 g/mol
LogP2.08
Rot. Bonds10

About 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 43056029) has the molecular formula C22H29N3O6S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID43056029
Molecular FormulaC22H29N3O6S
Molecular Weight463.56 g/mol
Exact Mass463.18
IUPAC Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C22H29N3O6S/c1-3-25(4-2)32(28,29)20-10-11-22(27)24(14-20)15-21(26)23-17-7-5-8-18(13-17)31-16-19-9-6-12-30-19/h5,7-8,10-11,13-14,19H,3-4,6,9,12,15-16H2,1-2H3,(H,23,26)
InChIKeyRURCWADEAIYBJL-UHFFFAOYSA-N
XLogP2.08
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46803573
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-fluorophenyl)acetamide
CID 7252285
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54808947
2-(dipropylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54818764
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 30873107
2-(9-oxoacridin-10-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 42950421
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-iodophenyl)acetamide
CID 16552124

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 43056029) is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccc(OCC3CCCO3)c2)c1.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is RURCWADEAIYBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S/c1-3-25(4-2)32(28,29)20-10-11-22(27)24(14-20)15-21(26)23-17-7-5-8-18(13-17)31-16-19-9-6-12-30-19/h5,7-8,10-11,13-14,19H,3-4,6,9,12,15-16H2,1-2H3,(H,23,26).
What are the key properties of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 463.56 g/mol, XLogP of 2.08, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 43056029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).