N-[8-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-ethyl-3,4-dihydro-2H-chromen-6-yl]ethanesulfonamide

C20H26N2O4S — CID 118021659

IUPACN-[8-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-ethyl-3,4-dihydro-2H-chromen-6-yl]ethanesulfonamide
SMILESCCC1CCc2cc(NS(=O)(=O)CC)cc(-c3cc(C)c(=O)n(C)c3)c2O1
InChIInChI=1S/C20H26N2O4S/c1-5-17-8-7-14-10-16(21-27(24,25)6-2)11-18(19(14)26-17)15-9-13(3)20(23)22(4)12-15/h9-12,17,21H,5-8H2,1-4H3
InChIKeyVXLKMNQIGLCASS-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.23
Rot. Bonds5

About N-[8-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-ethyl-3,4-dihydro-2H-chromen-6-yl]ethanesulfonamide

N-[8-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-ethyl-3,4-dihydro-2H-chromen-6-yl]ethanesulfonamide (PubChem CID 118021659) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[8-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-ethyl-3,4-dihydro-2H-chromen-6-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[8-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-ethyl-3,4-dihydro-2H-chromen-6-yl]ethanesulfonamide
PubChem CID118021659
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[8-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-ethyl-3,4-dihydro-2H-chromen-6-yl]ethanesulfonamide
SMILESCCC1CCc2cc(NS(=O)(=O)CC)cc(-c3cc(C)c(=O)n(C)c3)c2O1
InChIInChI=1S/C20H26N2O4S/c1-5-17-8-7-14-10-16(21-27(24,25)6-2)11-18(19(14)26-17)15-9-13(3)20(23)22(4)12-15/h9-12,17,21H,5-8H2,1-4H3
InChIKeyVXLKMNQIGLCASS-UHFFFAOYSA-N
XLogP3.23
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[8-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-ethyl-3,4-dihydro-2H-chromen-6-yl]ethanesulfonamide with MolForge

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Launch Full Analysis

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-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
N-[4-(4,4-difluorocyclohexyl)oxy-3-(4-ethoxy-1-methyl-6-oxopyridin-3-yl)phenyl]ethanesulfonamide
CID 90019850

Frequently Asked Questions

What is the IUPAC name of N-[8-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-ethyl-3,4-dihydro-2H-chromen-6-yl]ethanesulfonamide?
The IUPAC name of N-[8-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-ethyl-3,4-dihydro-2H-chromen-6-yl]ethanesulfonamide (CID 118021659) is N-[8-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-ethyl-3,4-dihydro-2H-chromen-6-yl]ethanesulfonamide.
What is the SMILES notation for N-[8-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-ethyl-3,4-dihydro-2H-chromen-6-yl]ethanesulfonamide?
The canonical SMILES for N-[8-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-ethyl-3,4-dihydro-2H-chromen-6-yl]ethanesulfonamide is CCC1CCc2cc(NS(=O)(=O)CC)cc(-c3cc(C)c(=O)n(C)c3)c2O1.
What is the InChIKey of N-[8-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-ethyl-3,4-dihydro-2H-chromen-6-yl]ethanesulfonamide?
The InChIKey is VXLKMNQIGLCASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-17-8-7-14-10-16(21-27(24,25)6-2)11-18(19(14)26-17)15-9-13(3)20(23)22(4)12-15/h9-12,17,21H,5-8H2,1-4H3.
What are the key properties of N-[8-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-ethyl-3,4-dihydro-2H-chromen-6-yl]ethanesulfonamide?
N-[8-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-ethyl-3,4-dihydro-2H-chromen-6-yl]ethanesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-ethyl-3,4-dihydro-2H-chromen-6-yl]ethanesulfonamide is sourced from PubChem (CID 118021659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).