N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide

C26H29F2N3O6S — CID 90017113

IUPACN-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)cc2OCCN2CCOCC2)c1
InChIInChI=1S/C26H29F2N3O6S/c1-3-38(33,34)29-19-5-7-23(37-24-6-4-18(27)14-22(24)28)20(15-19)21-17-30(2)26(32)16-25(21)36-13-10-31-8-11-35-12-9-31/h4-7,14-17,29H,3,8-13H2,1-2H3
InChIKeyWDHABTCHPGDZKV-UHFFFAOYSA-N
MW549.60 g/mol
LogP3.60
Rot. Bonds10

About N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide

N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide (PubChem CID 90017113) has the molecular formula C26H29F2N3O6S and a molecular weight of 549.60 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
PubChem CID90017113
Molecular FormulaC26H29F2N3O6S
Molecular Weight549.60 g/mol
Exact Mass549.17
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)cc2OCCN2CCOCC2)c1
InChIInChI=1S/C26H29F2N3O6S/c1-3-38(33,34)29-19-5-7-23(37-24-6-4-18(27)14-22(24)28)20(15-19)21-17-30(2)26(32)16-25(21)36-13-10-31-8-11-35-12-9-31/h4-7,14-17,29H,3,8-13H2,1-2H3
InChIKeyWDHABTCHPGDZKV-UHFFFAOYSA-N
XLogP3.60
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.60
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(4-Methoxy-1-Methyl-6-Oxo-1,6-Dihydropyridin-3-Yl)-4-Phenoxyphenyl]methanesulfonamide
CID 72549905
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl]ethanesulfonamide
CID 90018193
N-(10,12-difluoro-23-methyl-22-oxo-8,19-dioxa-23-azatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide
CID 118137789
N-[4-(2,4-difluorophenoxy)-3-(1-methyl-6-oxo-4-phenylmethoxy-3-pyridinyl)phenyl]ethanesulfonamide
CID 168290328
N-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl]ethanesulfonamide
CID 72547793
N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide
CID 72548029
N-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
CID 72548735
N-[4-(2,4-difluorophenoxy)-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
CID 72550116
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
CID 90016835
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)pyridin-3-yl]phenyl]ethanesulfonamide
CID 90017358
N-[3-(4-ethoxy-1-methyl-6-oxopyridin-3-yl)-4-[4-(trifluoromethoxy)phenoxy]phenyl]ethanesulfonamide
CID 90019075
N-[4-(4-cyanophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
CID 90019266

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide (CID 90017113) is N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)cc2OCCN2CCOCC2)c1.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide?
The InChIKey is WDHABTCHPGDZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N3O6S/c1-3-38(33,34)29-19-5-7-23(37-24-6-4-18(27)14-22(24)28)20(15-19)21-17-30(2)26(32)16-25(21)36-13-10-31-8-11-35-12-9-31/h4-7,14-17,29H,3,8-13H2,1-2H3.
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide?
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide has a molecular weight of 549.60 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 90017113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).