phenacyl 3-morpholin-4-ylsulfonylbenzoate

C19H19NO6S — CID 1124162

IUPACphenacyl 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C19H19NO6S/c21-18(15-5-2-1-3-6-15)14-26-19(22)16-7-4-8-17(13-16)27(23,24)20-9-11-25-12-10-20/h1-8,13H,9-12,14H2
InChIKeyXIENEDQJYWXVME-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.75
Rot. Bonds6

About phenacyl 3-morpholin-4-ylsulfonylbenzoate

phenacyl 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 1124162) has the molecular formula C19H19NO6S and a molecular weight of 389.43 g/mol. Its IUPAC name is phenacyl 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Namephenacyl 3-morpholin-4-ylsulfonylbenzoate
PubChem CID1124162
Molecular FormulaC19H19NO6S
Molecular Weight389.43 g/mol
Exact Mass389.09
IUPAC Namephenacyl 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C19H19NO6S/c21-18(15-5-2-1-3-6-15)14-26-19(22)16-7-4-8-17(13-16)27(23,24)20-9-11-25-12-10-20/h1-8,13H,9-12,14H2
InChIKeyXIENEDQJYWXVME-UHFFFAOYSA-N
XLogP1.75
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze phenacyl 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-(3-fluorophenyl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 8666849
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate
CID 7868503
[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 25044862
phenacyl 3-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 2908186
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 42964870
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346722
[2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521625
[2-(azepan-1-yl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521666
phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267
[2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699367
[2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699376

Frequently Asked Questions

What is the IUPAC name of phenacyl 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of phenacyl 3-morpholin-4-ylsulfonylbenzoate (CID 1124162) is phenacyl 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for phenacyl 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for phenacyl 3-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1.
What is the InChIKey of phenacyl 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is XIENEDQJYWXVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6S/c21-18(15-5-2-1-3-6-15)14-26-19(22)16-7-4-8-17(13-16)27(23,24)20-9-11-25-12-10-20/h1-8,13H,9-12,14H2.
What are the key properties of phenacyl 3-morpholin-4-ylsulfonylbenzoate?
phenacyl 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 389.43 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 1124162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).