N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide

C23H22F2N2O5S — CID 118022113

IUPACN-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide
SMILESCc1cc(-c2cc(N(C3COC3)S(C)(=O)=O)ccc2Oc2ccc(F)cc2F)cn(C)c1=O
InChIInChI=1S/C23H22F2N2O5S/c1-14-8-15(11-26(2)23(14)28)19-10-17(27(33(3,29)30)18-12-31-13-18)5-7-21(19)32-22-6-4-16(24)9-20(22)25/h4-11,18H,12-13H2,1-3H3
InChIKeyZRAQQZPRBJVBBS-UHFFFAOYSA-N
MW476.50 g/mol
LogP3.60
Rot. Bonds6

About N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide

N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide (PubChem CID 118022113) has the molecular formula C23H22F2N2O5S and a molecular weight of 476.50 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide
PubChem CID118022113
Molecular FormulaC23H22F2N2O5S
Molecular Weight476.50 g/mol
Exact Mass476.12
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide
SMILESCc1cc(-c2cc(N(C3COC3)S(C)(=O)=O)ccc2Oc2ccc(F)cc2F)cn(C)c1=O
InChIInChI=1S/C23H22F2N2O5S/c1-14-8-15(11-26(2)23(14)28)19-10-17(27(33(3,29)30)18-12-31-13-18)5-7-21(19)32-22-6-4-16(24)9-20(22)25/h4-11,18H,12-13H2,1-3H3
InChIKeyZRAQQZPRBJVBBS-UHFFFAOYSA-N
XLogP3.60
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(2,4-difluorophenoxy)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]-N-methylethenesulfonamide
CID 146525014
N-[4-(2,4-difluorophenoxy)-3-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
CID 118021474
5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one
CID 146524986
N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide
CID 157238786
5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-3-fluoro-1-methylpyridin-2-one
CID 123323276
N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide
CID 134311471
1-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]pyrrole-2,5-dione
CID 158518306
4-[2-(2,4-difluorophenoxy)-5-(oxetan-3-ylsulfonimidoyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135226946
5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one
CID 118022252
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]methanesulfinamide;hydrate
CID 162322586
5-[2-[2-(2,4-difluoroanilino)ethylsulfonyl]phenyl]-1,3-dimethylpyridin-2-one
CID 172864047
5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine
CID 134495337

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide (CID 118022113) is N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide is Cc1cc(-c2cc(N(C3COC3)S(C)(=O)=O)ccc2Oc2ccc(F)cc2F)cn(C)c1=O.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide?
The InChIKey is ZRAQQZPRBJVBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O5S/c1-14-8-15(11-26(2)23(14)28)19-10-17(27(33(3,29)30)18-12-31-13-18)5-7-21(19)32-22-6-4-16(24)9-20(22)25/h4-11,18H,12-13H2,1-3H3.
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide?
N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide has a molecular weight of 476.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide is sourced from PubChem (CID 118022113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).