[2-(benzylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

C20H22N2O6S — CID 2642205

IUPAC[2-(benzylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccc1
InChIInChI=1S/C20H22N2O6S/c23-19(21-14-16-4-2-1-3-5-16)15-28-20(24)17-6-8-18(9-7-17)29(25,26)22-10-12-27-13-11-22/h1-9H,10-15H2,(H,21,23)
InChIKeyKORDVDFAAKXRGR-UHFFFAOYSA-N
MW418.47 g/mol
LogP1.18
Rot. Bonds7

About [2-(benzylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

[2-(benzylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 2642205) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
PubChem CID2642205
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Name[2-(benzylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccc1
InChIInChI=1S/C20H22N2O6S/c23-19(21-14-16-4-2-1-3-5-16)15-28-20(24)17-6-8-18(9-7-17)29(25,26)22-10-12-27-13-11-22/h1-9H,10-15H2,(H,21,23)
InChIKeyKORDVDFAAKXRGR-UHFFFAOYSA-N
XLogP1.18
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (CID 2642205) is [2-(benzylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is KORDVDFAAKXRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c23-19(21-14-16-4-2-1-3-5-16)15-28-20(24)17-6-8-18(9-7-17)29(25,26)22-10-12-27-13-11-22/h1-9H,10-15H2,(H,21,23).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
[2-(benzylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 418.47 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2642205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).