N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide

C19H20N2O6S — CID 131932276

IUPACN-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
SMILESO=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1scc2c1OCCO2
InChIInChI=1S/C19H20N2O6S/c22-16(21-5-7-24-8-6-21)11-27-14-3-1-13(2-4-14)20-19(23)18-17-15(12-28-18)25-9-10-26-17/h1-4,12H,5-11H2,(H,20,23)
InChIKeyIPPJJSSENVHJAV-UHFFFAOYSA-N
MW404.44 g/mol
LogP2.01
Rot. Bonds5

About N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide

N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide (PubChem CID 131932276) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
PubChem CID131932276
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC NameN-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
SMILESO=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1scc2c1OCCO2
InChIInChI=1S/C19H20N2O6S/c22-16(21-5-7-24-8-6-21)11-27-14-3-1-13(2-4-14)20-19(23)18-17-15(12-28-18)25-9-10-26-17/h1-4,12H,5-11H2,(H,20,23)
InChIKeyIPPJJSSENVHJAV-UHFFFAOYSA-N
XLogP2.01
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide with MolForge

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Related Compounds

N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide
CID 992710
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide
CID 118776743
2-ethyl-4-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-oxazole-5-carboxamide
CID 131917366
4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide
CID 100687083
3-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]pyridine-4-carboxamide
CID 131932108
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
2-[4-(furan-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 168524915

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
The IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide (CID 131932276) is N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide.
What is the SMILES notation for N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
The canonical SMILES for N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide is O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1scc2c1OCCO2.
What is the InChIKey of N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
The InChIKey is IPPJJSSENVHJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c22-16(21-5-7-24-8-6-21)11-27-14-3-1-13(2-4-14)20-19(23)18-17-15(12-28-18)25-9-10-26-17/h1-4,12H,5-11H2,(H,20,23).
What are the key properties of N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide is sourced from PubChem (CID 131932276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).