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

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Related Compounds

2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3S)-1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]amino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 10009640
2-[(6-chlorothieno[2,3-b]pyridin-2-yl)sulfonyl-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 90994620
methyl 2-[(6-chloronaphthalen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetate
CID 10099742
1-[3-fluoro-4-[3-[hydroxysulfonothioyl(sulfanyl)amino]-2-oxopyrrolidin-1-yl]phenyl]-2-oxopyrazine
CID 142892047
4-(dimethylamino)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)benzenesulfonamide
CID 86807763
2-[(5-chlorothiophen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetamide
CID 10324406
[[1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopyrrolidin-3-yl]-hydroxysulfonothioylamino] hypoiodite
CID 142892103
1-(4-amino-3,5-difluorophenyl)pyridin-2-one
CID 69109261
N-benzyl-N-[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-diazinan-1-yl]methanesulfonamide
CID 58787249
2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide
CID 22313503
4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide
CID 176815247
2-[(6-chlorothieno[2,3-b]pyridin-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetic acid
CID 21071205

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).