[2-oxo-2-(2-phenylethylamino)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate

C22H26N2O6S — CID 2429445

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NCCc1ccccc1
InChIInChI=1S/C22H26N2O6S/c1-17-7-8-19(31(27,28)24-11-13-29-14-12-24)15-20(17)22(26)30-16-21(25)23-10-9-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3,(H,23,25)
InChIKeyRZRDJZSGZQLYBL-UHFFFAOYSA-N
MW446.53 g/mol
LogP1.53
Rot. Bonds8

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2429445) has the molecular formula C22H26N2O6S and a molecular weight of 446.53 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2429445
Molecular FormulaC22H26N2O6S
Molecular Weight446.53 g/mol
Exact Mass446.15
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NCCc1ccccc1
InChIInChI=1S/C22H26N2O6S/c1-17-7-8-19(31(27,28)24-11-13-29-14-12-24)15-20(17)22(26)30-16-21(25)23-10-9-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3,(H,23,25)
InChIKeyRZRDJZSGZQLYBL-UHFFFAOYSA-N
XLogP1.53
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate (CID 2429445) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is RZRDJZSGZQLYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6S/c1-17-7-8-19(31(27,28)24-11-13-29-14-12-24)15-20(17)22(26)30-16-21(25)23-10-9-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3,(H,23,25).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 446.53 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2429445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).