2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)acetamide

C9H12N2O4S — CID 118211717

IUPAC2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)acetamide
SMILESCCS(=O)(=O)c1ccn(CC(N)=O)c(=O)c1
InChIInChI=1S/C9H12N2O4S/c1-2-16(14,15)7-3-4-11(6-8(10)12)9(13)5-7/h3-5H,2,6H2,1H3,(H2,10,12)
InChIKeyCUTBGQPANDCBCD-UHFFFAOYSA-N
MW244.27 g/mol
LogP-0.87
Rot. Bonds4

About 2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)acetamide

2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 118211717) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)acetamide
PubChem CID118211717
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)acetamide
SMILESCCS(=O)(=O)c1ccn(CC(N)=O)c(=O)c1
InChIInChI=1S/C9H12N2O4S/c1-2-16(14,15)7-3-4-11(6-8(10)12)9(13)5-7/h3-5H,2,6H2,1H3,(H2,10,12)
InChIKeyCUTBGQPANDCBCD-UHFFFAOYSA-N
XLogP-0.87
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of 2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)acetamide (CID 118211717) is 2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for 2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)acetamide is CCS(=O)(=O)c1ccn(CC(N)=O)c(=O)c1.
What is the InChIKey of 2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is CUTBGQPANDCBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-2-16(14,15)7-3-4-11(6-8(10)12)9(13)5-7/h3-5H,2,6H2,1H3,(H2,10,12).
What are the key properties of 2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)acetamide?
2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 244.27 g/mol, XLogP of -0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 118211717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).