1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one

C21H28N2O7S — CID 56849277

IUPAC1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one
SMILESCOc1cc(/C=C/S(=O)(=O)N2CCC=CC2=O)cc(OC)c1OCCN1CCOCC1
InChIInChI=1S/C21H28N2O7S/c1-27-18-15-17(6-14-31(25,26)23-7-4-3-5-20(23)24)16-19(28-2)21(18)30-13-10-22-8-11-29-12-9-22/h3,5-6,14-16H,4,7-13H2,1-2H3/b14-6+
InChIKeyKDBXJRAHZALAFB-MKMNVTDBSA-N
MW452.53 g/mol
LogP1.50
Rot. Bonds9

About 1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one

1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one (PubChem CID 56849277) has the molecular formula C21H28N2O7S and a molecular weight of 452.53 g/mol. Its IUPAC name is 1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one
PubChem CID56849277
Molecular FormulaC21H28N2O7S
Molecular Weight452.53 g/mol
Exact Mass452.16
IUPAC Name1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one
SMILESCOc1cc(/C=C/S(=O)(=O)N2CCC=CC2=O)cc(OC)c1OCCN1CCOCC1
InChIInChI=1S/C21H28N2O7S/c1-27-18-15-17(6-14-31(25,26)23-7-4-3-5-20(23)24)16-19(28-2)21(18)30-13-10-22-8-11-29-12-9-22/h3,5-6,14-16H,4,7-13H2,1-2H3/b14-6+
InChIKeyKDBXJRAHZALAFB-MKMNVTDBSA-N
XLogP1.50
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one with MolForge

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Related Compounds

tert-butyl 4-[2-[2,6-dimethoxy-4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate
CID 168941360
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43516741
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]morpholine
CID 58923296
3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 110187528
1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine
CID 104664509
ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 69299982
tert-butyl N-[2-[2,6-dimethoxy-4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenoxy]ethyl]carbamate
CID 66613197
tert-butyl 2-[2-[2-[2-[2,6-dimethoxy-4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenoxy]ethoxy]ethoxy]ethoxy]acetate
CID 168941336
(1E,4E)-1,5-bis[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]penta-1,4-dien-3-one
CID 127035896
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 78780979

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one (CID 56849277) is 1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one is COc1cc(/C=C/S(=O)(=O)N2CCC=CC2=O)cc(OC)c1OCCN1CCOCC1.
What is the InChIKey of 1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one?
The InChIKey is KDBXJRAHZALAFB-MKMNVTDBSA-N. The full InChI is InChI=1S/C21H28N2O7S/c1-27-18-15-17(6-14-31(25,26)23-7-4-3-5-20(23)24)16-19(28-2)21(18)30-13-10-22-8-11-29-12-9-22/h3,5-6,14-16H,4,7-13H2,1-2H3/b14-6+.
What are the key properties of 1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one?
1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one has a molecular weight of 452.53 g/mol, XLogP of 1.50, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 56849277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).