[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate

C19H19NO6S — CID 7868503

IUPAC[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H19NO6S/c21-18(14-26-19(22)16-4-2-1-3-5-16)15-6-8-17(9-7-15)27(23,24)20-10-12-25-13-11-20/h1-9H,10-14H2
InChIKeyVTRXERIXBJOMSN-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.75
Rot. Bonds6

About [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate

[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate (PubChem CID 7868503) has the molecular formula C19H19NO6S and a molecular weight of 389.43 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate
PubChem CID7868503
Molecular FormulaC19H19NO6S
Molecular Weight389.43 g/mol
Exact Mass389.09
IUPAC Name[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H19NO6S/c21-18(14-26-19(22)16-4-2-1-3-5-16)15-6-8-17(9-7-15)27(23,24)20-10-12-25-13-11-20/h1-9H,10-14H2
InChIKeyVTRXERIXBJOMSN-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

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Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2352525
phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] pyridine-4-carboxylate
CID 7783940
phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346722
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527565
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 8631773
phenacyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 2357522
[2-oxo-2-(2-phenylethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 55314397
[2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 4843377
[2-(3-fluorophenyl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 8666849
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 8705256
[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 25044862

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate (CID 7868503) is [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate is O=C(COC(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate?
The InChIKey is VTRXERIXBJOMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6S/c21-18(14-26-19(22)16-4-2-1-3-5-16)15-6-8-17(9-7-15)27(23,24)20-10-12-25-13-11-20/h1-9H,10-14H2.
What are the key properties of [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate?
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate 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 [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate is sourced from PubChem (CID 7868503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).