2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-methylbutanamide

C12H19N3O4S — CID 141104541

IUPAC2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-methylbutanamide
SMILESCCS(=O)(=O)Nc1cccn(C(C(N)=O)C(C)C)c1=O
InChIInChI=1S/C12H19N3O4S/c1-4-20(18,19)14-9-6-5-7-15(12(9)17)10(8(2)3)11(13)16/h5-8,10,14H,4H2,1-3H3,(H2,13,16)
InChIKeyDONVUBPOGZIVPG-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.29
Rot. Bonds6

About 2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-methylbutanamide

2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-methylbutanamide (PubChem CID 141104541) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-methylbutanamide
PubChem CID141104541
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-methylbutanamide
SMILESCCS(=O)(=O)Nc1cccn(C(C(N)=O)C(C)C)c1=O
InChIInChI=1S/C12H19N3O4S/c1-4-20(18,19)14-9-6-5-7-15(12(9)17)10(8(2)3)11(13)16/h5-8,10,14H,4H2,1-3H3,(H2,13,16)
InChIKeyDONVUBPOGZIVPG-UHFFFAOYSA-N
XLogP0.29
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-methylbutanamide?
The IUPAC name of 2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-methylbutanamide (CID 141104541) is 2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for 2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-methylbutanamide?
The canonical SMILES for 2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-methylbutanamide is CCS(=O)(=O)Nc1cccn(C(C(N)=O)C(C)C)c1=O.
What is the InChIKey of 2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-methylbutanamide?
The InChIKey is DONVUBPOGZIVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-4-20(18,19)14-9-6-5-7-15(12(9)17)10(8(2)3)11(13)16/h5-8,10,14H,4H2,1-3H3,(H2,13,16).
What are the key properties of 2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-methylbutanamide?
2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-methylbutanamide has a molecular weight of 301.37 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 141104541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).