N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide

C18H20FN3O4S — CID 58778144

IUPACN-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCCN(c2ccc(-n3ccccc3=O)cc2F)C1=O)S(C)(=O)=O
InChIInChI=1S/C18H20FN3O4S/c1-20(27(2,25)26)16-6-5-11-22(18(16)24)15-9-8-13(12-14(15)19)21-10-4-3-7-17(21)23/h3-4,7-10,12,16H,5-6,11H2,1-2H3
InChIKeyIYXBCOUNGTZHEW-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.36
Rot. Bonds4

About N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide

N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide (PubChem CID 58778144) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide
PubChem CID58778144
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC NameN-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCCN(c2ccc(-n3ccccc3=O)cc2F)C1=O)S(C)(=O)=O
InChIInChI=1S/C18H20FN3O4S/c1-20(27(2,25)26)16-6-5-11-22(18(16)24)15-9-8-13(12-14(15)19)21-10-4-3-7-17(21)23/h3-4,7-10,12,16H,5-6,11H2,1-2H3
InChIKeyIYXBCOUNGTZHEW-UHFFFAOYSA-N
XLogP1.36
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide (CID 58778144) is N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide is CN(C1CCCN(c2ccc(-n3ccccc3=O)cc2F)C1=O)S(C)(=O)=O.
What is the InChIKey of N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide?
The InChIKey is IYXBCOUNGTZHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-20(27(2,25)26)16-6-5-11-22(18(16)24)15-9-8-13(12-14(15)19)21-10-4-3-7-17(21)23/h3-4,7-10,12,16H,5-6,11H2,1-2H3.
What are the key properties of N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide?
N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide has a molecular weight of 393.44 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 58778144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).