(2-morpholin-4-yl-2-oxoethyl) 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate

C23H26N2O7S — CID 4319258

IUPAC(2-morpholin-4-yl-2-oxoethyl) 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate
SMILESC=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C23H26N2O7S/c1-3-11-25(20-9-4-5-10-21(20)30-2)33(28,29)19-8-6-7-18(16-19)23(27)32-17-22(26)24-12-14-31-15-13-24/h3-10,16H,1,11-15,17H2,2H3
InChIKeyLTHUCFQOFLBWMG-UHFFFAOYSA-N
MW474.54 g/mol
LogP2.09
Rot. Bonds9

About (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate

(2-morpholin-4-yl-2-oxoethyl) 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate (PubChem CID 4319258) has the molecular formula C23H26N2O7S and a molecular weight of 474.54 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate
PubChem CID4319258
Molecular FormulaC23H26N2O7S
Molecular Weight474.54 g/mol
Exact Mass474.15
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate
SMILESC=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C23H26N2O7S/c1-3-11-25(20-9-4-5-10-21(20)30-2)33(28,29)19-8-6-7-18(16-19)23(27)32-17-22(26)24-12-14-31-15-13-24/h3-10,16H,1,11-15,17H2,2H3
InChIKeyLTHUCFQOFLBWMG-UHFFFAOYSA-N
XLogP2.09
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate (CID 4319258) is (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate is C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCOCC2)c1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate?
The InChIKey is LTHUCFQOFLBWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O7S/c1-3-11-25(20-9-4-5-10-21(20)30-2)33(28,29)19-8-6-7-18(16-19)23(27)32-17-22(26)24-12-14-31-15-13-24/h3-10,16H,1,11-15,17H2,2H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate?
(2-morpholin-4-yl-2-oxoethyl) 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate has a molecular weight of 474.54 g/mol, XLogP of 2.09, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate is sourced from PubChem (CID 4319258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).