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

C21H24N2O7S — CID 4268036

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O)NCCc1ccccc1
InChIInChI=1S/C21H24N2O7S/c24-19-7-6-17(31(27,28)23-10-12-29-13-11-23)14-18(19)21(26)30-15-20(25)22-9-8-16-4-2-1-3-5-16/h1-7,14,24H,8-13,15H2,(H,22,25)
InChIKeyMLRXVAXGQIMHCA-UHFFFAOYSA-N
MW448.50 g/mol
LogP0.93
Rot. Bonds8

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

[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 4268036) has the molecular formula C21H24N2O7S and a molecular weight of 448.50 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
PubChem CID4268036
Molecular FormulaC21H24N2O7S
Molecular Weight448.50 g/mol
Exact Mass448.13
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O)NCCc1ccccc1
InChIInChI=1S/C21H24N2O7S/c24-19-7-6-17(31(27,28)23-10-12-29-13-11-23)14-18(19)21(26)30-15-20(25)22-9-8-16-4-2-1-3-5-16/h1-7,14,24H,8-13,15H2,(H,22,25)
InChIKeyMLRXVAXGQIMHCA-UHFFFAOYSA-N
XLogP0.93
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate
CID 2364511
[2-[(3,4-Dimethoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
CID 3956184
(2-Oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate
CID 2361888
[2-(Tert-butylamino)-2-oxoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 2435854
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 2999240
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
CID 2999615
[2-(4-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 3970101
[2-[2-(3,4-Dimethoxyphenyl)ethylamino]-2-oxoethyl] 5-(benzylsulfamoyl)-2-hydroxybenzoate
CID 4057101
2-[[(2-Methoxyphenyl)methyl]amino]-2-oxoethyl 3-[(diethylamino)sulfonyl]benzoate
CID 7044363
[2-[(4-Hydroxy-3,5-dimethylphenyl)methylamino]-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 16252412
[2-Oxo-2-(2-phenylethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16521431
[2-Oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxybenzoate
CID 4477477

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate (CID 4268036) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is MLRXVAXGQIMHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O7S/c24-19-7-6-17(31(27,28)23-10-12-29-13-11-23)14-18(19)21(26)30-15-20(25)22-9-8-16-4-2-1-3-5-16/h1-7,14,24H,8-13,15H2,(H,22,25).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 448.50 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 4268036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).