[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate

C18H20N2O6S2 — CID 2365503

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1cccs1
InChIInChI=1S/C18H20N2O6S2/c21-17(19-12-15-2-1-11-27-15)13-26-18(22)14-3-5-16(6-4-14)28(23,24)20-7-9-25-10-8-20/h1-6,11H,7-10,12-13H2,(H,19,21)
InChIKeyIBKABYQEBJBXGZ-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.24
Rot. Bonds7

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 2365503) has the molecular formula C18H20N2O6S2 and a molecular weight of 424.50 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
PubChem CID2365503
Molecular FormulaC18H20N2O6S2
Molecular Weight424.50 g/mol
Exact Mass424.08
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1cccs1
InChIInChI=1S/C18H20N2O6S2/c21-17(19-12-15-2-1-11-27-15)13-26-18(22)14-3-5-16(6-4-14)28(23,24)20-7-9-25-10-8-20/h1-6,11H,7-10,12-13H2,(H,19,21)
InChIKeyIBKABYQEBJBXGZ-UHFFFAOYSA-N
XLogP1.24
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate (CID 2365503) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is IBKABYQEBJBXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S2/c21-17(19-12-15-2-1-11-27-15)13-26-18(22)14-3-5-16(6-4-14)28(23,24)20-7-9-25-10-8-20/h1-6,11H,7-10,12-13H2,(H,19,21).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 424.50 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2365503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).