[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate

C19H22N2O6S2 — CID 2417547

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O6S2/c1-14-4-5-15(11-17(14)29(24,25)21-6-8-26-9-7-21)19(23)27-13-18(22)20-12-16-3-2-10-28-16/h2-5,10-11H,6-9,12-13H2,1H3,(H,20,22)
InChIKeyYYATVDYAOOAVRM-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.55
Rot. Bonds7

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 2417547) has the molecular formula C19H22N2O6S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
PubChem CID2417547
Molecular FormulaC19H22N2O6S2
Molecular Weight438.53 g/mol
Exact Mass438.09
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O6S2/c1-14-4-5-15(11-17(14)29(24,25)21-6-8-26-9-7-21)19(23)27-13-18(22)20-12-16-3-2-10-28-16/h2-5,10-11H,6-9,12-13H2,1H3,(H,20,22)
InChIKeyYYATVDYAOOAVRM-UHFFFAOYSA-N
XLogP1.55
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.55
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-methyl-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate (CID 2417547) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate is Cc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is YYATVDYAOOAVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S2/c1-14-4-5-15(11-17(14)29(24,25)21-6-8-26-9-7-21)19(23)27-13-18(22)20-12-16-3-2-10-28-16/h2-5,10-11H,6-9,12-13H2,1H3,(H,20,22).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 438.53 g/mol, XLogP of 1.55, 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-methyl-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2417547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).