[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C19H22N2O7S — CID 2434535

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)o1
InChIInChI=1S/C19H22N2O7S/c1-13-11-17(14(2)28-13)19(23)27-12-18(22)20-15-3-5-16(6-4-15)29(24,25)21-7-9-26-10-8-21/h3-6,11H,7-10,12H2,1-2H3,(H,20,22)
InChIKeyXQYLWUIFFRJIJL-UHFFFAOYSA-N
MW422.46 g/mol
LogP1.71
Rot. Bonds6

About [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 2434535) has the molecular formula C19H22N2O7S and a molecular weight of 422.46 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID2434535
Molecular FormulaC19H22N2O7S
Molecular Weight422.46 g/mol
Exact Mass422.11
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)o1
InChIInChI=1S/C19H22N2O7S/c1-13-11-17(14(2)28-13)19(23)27-12-18(22)20-15-3-5-16(6-4-15)29(24,25)21-7-9-26-10-8-21/h3-6,11H,7-10,12H2,1-2H3,(H,20,22)
InChIKeyXQYLWUIFFRJIJL-UHFFFAOYSA-N
XLogP1.71
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 2434535) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)o1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is XQYLWUIFFRJIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7S/c1-13-11-17(14(2)28-13)19(23)27-12-18(22)20-15-3-5-16(6-4-15)29(24,25)21-7-9-26-10-8-21/h3-6,11H,7-10,12H2,1-2H3,(H,20,22).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 422.46 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2434535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).