[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate

C17H27N3O6S — CID 7977601

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)NCC(C)C)c1
InChIInChI=1S/C17H27N3O6S/c1-5-20(6-2)27(24,25)14-7-8-16(22)19(10-14)11-17(23)26-12-15(21)18-9-13(3)4/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,18,21)
InChIKeyLSYUDDXMDDIGPT-UHFFFAOYSA-N
MW401.49 g/mol
LogP0.19
Rot. Bonds10

About [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate

[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate (PubChem CID 7977601) has the molecular formula C17H27N3O6S and a molecular weight of 401.49 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate
PubChem CID7977601
Molecular FormulaC17H27N3O6S
Molecular Weight401.49 g/mol
Exact Mass401.16
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)NCC(C)C)c1
InChIInChI=1S/C17H27N3O6S/c1-5-20(6-2)27(24,25)14-7-8-16(22)19(10-14)11-17(23)26-12-15(21)18-9-13(3)4/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,18,21)
InChIKeyLSYUDDXMDDIGPT-UHFFFAOYSA-N
XLogP0.19
TPSA114.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate (CID 7977601) is [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)NCC(C)C)c1.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
The InChIKey is LSYUDDXMDDIGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O6S/c1-5-20(6-2)27(24,25)14-7-8-16(22)19(10-14)11-17(23)26-12-15(21)18-9-13(3)4/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,18,21).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate has a molecular weight of 401.49 g/mol, XLogP of 0.19, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 7977601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).