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

C14H21N3O6S — CID 7977598

IUPAC[2-(methylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)NC)c1
InChIInChI=1S/C14H21N3O6S/c1-4-17(5-2)24(21,22)11-6-7-13(19)16(8-11)9-14(20)23-10-12(18)15-3/h6-8H,4-5,9-10H2,1-3H3,(H,15,18)
InChIKeyUHNSYSPLKJHBGB-UHFFFAOYSA-N
MW359.40 g/mol
LogP-0.83
Rot. Bonds8

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

[2-(methylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate (PubChem CID 7977598) has the molecular formula C14H21N3O6S and a molecular weight of 359.40 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate
PubChem CID7977598
Molecular FormulaC14H21N3O6S
Molecular Weight359.40 g/mol
Exact Mass359.12
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)NC)c1
InChIInChI=1S/C14H21N3O6S/c1-4-17(5-2)24(21,22)11-6-7-13(19)16(8-11)9-14(20)23-10-12(18)15-3/h6-8H,4-5,9-10H2,1-3H3,(H,15,18)
InChIKeyUHNSYSPLKJHBGB-UHFFFAOYSA-N
XLogP-0.83
TPSA114.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate (CID 7977598) is [2-(methylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)NC)c1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
The InChIKey is UHNSYSPLKJHBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O6S/c1-4-17(5-2)24(21,22)11-6-7-13(19)16(8-11)9-14(20)23-10-12(18)15-3/h6-8H,4-5,9-10H2,1-3H3,(H,15,18).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
[2-(methylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate has a molecular weight of 359.40 g/mol, XLogP of -0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 7977598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).