N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide

C21H23N3O5S — CID 72548032

IUPACN-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1cccnc1
InChIInChI=1S/C21H23N3O5S/c1-4-28-20-12-21(25)24(3)14-18(20)17-11-15(23-30(26,27)5-2)8-9-19(17)29-16-7-6-10-22-13-16/h6-14,23H,4-5H2,1-3H3
InChIKeyHWOMYDFCOYGDGD-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.40
Rot. Bonds8

About N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide

N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide (PubChem CID 72548032) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide
PubChem CID72548032
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1cccnc1
InChIInChI=1S/C21H23N3O5S/c1-4-28-20-12-21(25)24(3)14-18(20)17-11-15(23-30(26,27)5-2)8-9-19(17)29-16-7-6-10-22-13-16/h6-14,23H,4-5H2,1-3H3
InChIKeyHWOMYDFCOYGDGD-UHFFFAOYSA-N
XLogP3.40
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(10,12-difluoro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide
CID 118138005
Nampt-IN-1
CID 92044379
N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide
CID 118137846
N-[6-(2,4-difluorophenoxy)-5-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide
CID 137635588
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-N-(pyrazin-2-ylmethyl)ethanesulfonamide
CID 118116248
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 118116641
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 118116823
US10335401, No. I-19
CID 139313416
N-[3-[[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]oxy]phenyl]acetamide
CID 155563510
2-Methoxy-N-[2-[2-(3-pyridyloxy)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]ethanesulfonamide
CID 91669200
1-[2-(4-Acetamidophenoxy)ethyl]-4-(2-sulfonatoethyl)pyridin-1-ium
CID 3114812
N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
CID 54632083

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide?
The IUPAC name of N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide (CID 72548032) is N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide is CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1cccnc1.
What is the InChIKey of N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide?
The InChIKey is HWOMYDFCOYGDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-4-28-20-12-21(25)24(3)14-18(20)17-11-15(23-30(26,27)5-2)8-9-19(17)29-16-7-6-10-22-13-16/h6-14,23H,4-5H2,1-3H3.
What are the key properties of N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide?
N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide has a molecular weight of 429.50 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide is sourced from PubChem (CID 72548032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).