[2-oxo-2-(2-phenylethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate

C21H23FN2O6S — CID 16521431

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)NCCc1ccccc1
InChIInChI=1S/C21H23FN2O6S/c22-18-7-6-17(14-19(18)31(27,28)24-10-12-29-13-11-24)21(26)30-15-20(25)23-9-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,23,25)
InChIKeyMKQLEAMKSGZLSS-UHFFFAOYSA-N
MW450.49 g/mol
LogP1.36
Rot. Bonds8

About [2-oxo-2-(2-phenylethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate

[2-oxo-2-(2-phenylethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 16521431) has the molecular formula C21H23FN2O6S and a molecular weight of 450.49 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
PubChem CID16521431
Molecular FormulaC21H23FN2O6S
Molecular Weight450.49 g/mol
Exact Mass450.13
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)NCCc1ccccc1
InChIInChI=1S/C21H23FN2O6S/c22-18-7-6-17(14-19(18)31(27,28)24-10-12-29-13-11-24)21(26)30-15-20(25)23-9-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,23,25)
InChIKeyMKQLEAMKSGZLSS-UHFFFAOYSA-N
XLogP1.36
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2-phenylethylamino)ethyl] 4-fluoro-3-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-(Cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2095647
[2-(Cyclopentylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2097778
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2346486
[2-(Benzylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2363961
[2-(Cyclopropylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 3896394
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4845868
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 4845870
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 5094837
3-(Morpholine-4-sulfonyl)-benzoic acid 2-oxo-2-phenyl-ethyl ester
CID 1124162
Phenacyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 1117953
2-[[4-(Diethylsulfamoyl)benzoyl]amino]ethyl 2,4-difluorobenzoate
CID 2328727
[2-(2,6-Difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 2338052

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (CID 16521431) is [2-oxo-2-(2-phenylethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is MKQLEAMKSGZLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O6S/c22-18-7-6-17(14-19(18)31(27,28)24-10-12-29-13-11-24)21(26)30-15-20(25)23-9-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,23,25).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 450.49 g/mol, XLogP of 1.36, 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] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 16521431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).