2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(2-methylbutan-2-yl)acetamide

C15H25N3O4S — CID 53161413

IUPAC2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1c(C)ccc(NS(=O)(=O)CC)c1=O
InChIInChI=1S/C15H25N3O4S/c1-6-15(4,5)16-13(19)10-18-11(3)8-9-12(14(18)20)17-23(21,22)7-2/h8-9,17H,6-7,10H2,1-5H3,(H,16,19)
InChIKeyGXWHHRYUPQNVDZ-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.22
Rot. Bonds7

About 2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(2-methylbutan-2-yl)acetamide

2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 53161413) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID53161413
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1c(C)ccc(NS(=O)(=O)CC)c1=O
InChIInChI=1S/C15H25N3O4S/c1-6-15(4,5)16-13(19)10-18-11(3)8-9-12(14(18)20)17-23(21,22)7-2/h8-9,17H,6-7,10H2,1-5H3,(H,16,19)
InChIKeyGXWHHRYUPQNVDZ-UHFFFAOYSA-N
XLogP1.22
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(2-methylbutan-2-yl)acetamide (CID 53161413) is 2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cn1c(C)ccc(NS(=O)(=O)CC)c1=O.
What is the InChIKey of 2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is GXWHHRYUPQNVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-6-15(4,5)16-13(19)10-18-11(3)8-9-12(14(18)20)17-23(21,22)7-2/h8-9,17H,6-7,10H2,1-5H3,(H,16,19).
What are the key properties of 2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(2-methylbutan-2-yl)acetamide?
2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 53161413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).