N-[3-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide

C24H24F2N2O4S — CID 118021865

IUPACN-[3-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C)c(=O)n(CC3CC3)c2)c1
InChIInChI=1S/C24H24F2N2O4S/c1-3-33(30,31)27-19-7-9-22(32-23-8-6-18(25)11-21(23)26)20(12-19)17-10-15(2)24(29)28(14-17)13-16-4-5-16/h6-12,14,16,27H,3-5,13H2,1-2H3
InChIKeyTZIKTTLNBPRMQA-UHFFFAOYSA-N
MW474.53 g/mol
LogP5.07
Rot. Bonds8

About N-[3-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide

N-[3-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide (PubChem CID 118021865) has the molecular formula C24H24F2N2O4S and a molecular weight of 474.53 g/mol. Its IUPAC name is N-[3-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide
PubChem CID118021865
Molecular FormulaC24H24F2N2O4S
Molecular Weight474.53 g/mol
Exact Mass474.14
IUPAC NameN-[3-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C)c(=O)n(CC3CC3)c2)c1
InChIInChI=1S/C24H24F2N2O4S/c1-3-33(30,31)27-19-7-9-22(32-23-8-6-18(25)11-21(23)26)20(12-19)17-10-15(2)24(29)28(14-17)13-16-4-5-16/h6-12,14,16,27H,3-5,13H2,1-2H3
InChIKeyTZIKTTLNBPRMQA-UHFFFAOYSA-N
XLogP5.07
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.53
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[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-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
CID 90017113
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-[3-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide (CID 118021865) is N-[3-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C)c(=O)n(CC3CC3)c2)c1.
What is the InChIKey of N-[3-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide?
The InChIKey is TZIKTTLNBPRMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O4S/c1-3-33(30,31)27-19-7-9-22(32-23-8-6-18(25)11-21(23)26)20(12-19)17-10-15(2)24(29)28(14-17)13-16-4-5-16/h6-12,14,16,27H,3-5,13H2,1-2H3.
What are the key properties of N-[3-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide?
N-[3-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide has a molecular weight of 474.53 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide is sourced from PubChem (CID 118021865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).