[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate

C19H21NO7S — CID 55474921

IUPAC[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate
SMILESCC1CN(C(=O)COC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)CCO1
InChIInChI=1S/C19H21NO7S/c1-14-11-20(9-10-25-14)18(21)12-26-19(22)17-8-7-15(27-17)13-28(23,24)16-5-3-2-4-6-16/h2-8,14H,9-13H2,1H3
InChIKeyJEFKBBBIVDBRCK-UHFFFAOYSA-N
MW407.44 g/mol
LogP1.66
Rot. Bonds6

About [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate

[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate (PubChem CID 55474921) has the molecular formula C19H21NO7S and a molecular weight of 407.44 g/mol. Its IUPAC name is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate
PubChem CID55474921
Molecular FormulaC19H21NO7S
Molecular Weight407.44 g/mol
Exact Mass407.10
IUPAC Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate
SMILESCC1CN(C(=O)COC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)CCO1
InChIInChI=1S/C19H21NO7S/c1-14-11-20(9-10-25-14)18(21)12-26-19(22)17-8-7-15(27-17)13-28(23,24)16-5-3-2-4-6-16/h2-8,14H,9-13H2,1H3
InChIKeyJEFKBBBIVDBRCK-UHFFFAOYSA-N
XLogP1.66
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate with MolForge

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Related Compounds

azepan-1-yl-[5-(benzenesulfonylmethyl)furan-2-yl]methanone
CID 4790235
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 55479848
[5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3242171
[5-(benzenesulfonylmethyl)furan-2-yl]-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 102554617
[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 26713370
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 46675286
2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone
CID 62498335
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate
CID 55479076
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate
CID 55479701
[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 5307553
2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid
CID 82808741
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998394

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate?
The IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate (CID 55474921) is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate.
What is the SMILES notation for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate?
The canonical SMILES for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate is CC1CN(C(=O)COC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)CCO1.
What is the InChIKey of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate?
The InChIKey is JEFKBBBIVDBRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO7S/c1-14-11-20(9-10-25-14)18(21)12-26-19(22)17-8-7-15(27-17)13-28(23,24)16-5-3-2-4-6-16/h2-8,14H,9-13H2,1H3.
What are the key properties of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate?
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate has a molecular weight of 407.44 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate is sourced from PubChem (CID 55474921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).