2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

C16H21NO6S — CID 55316342

IUPAC2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESCC(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H21NO6S/c1-13(18)12-23-16(19)7-4-14-2-5-15(6-3-14)24(20,21)17-8-10-22-11-9-17/h2-3,5-6H,4,7-12H2,1H3
InChIKeyRYWCGPVKXWFFOV-UHFFFAOYSA-N
MW355.41 g/mol
LogP0.77
Rot. Bonds7

About 2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (PubChem CID 55316342) has the molecular formula C16H21NO6S and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.

Molecular Properties

Compound Name2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
PubChem CID55316342
Molecular FormulaC16H21NO6S
Molecular Weight355.41 g/mol
Exact Mass355.11
IUPAC Name2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESCC(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H21NO6S/c1-13(18)12-23-16(19)7-4-14-2-5-15(6-3-14)24(20,21)17-8-10-22-11-9-17/h2-3,5-6H,4,7-12H2,1H3
InChIKeyRYWCGPVKXWFFOV-UHFFFAOYSA-N
XLogP0.77
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate 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

(4-methylphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 7824832
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 55316309
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 55316289
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 2100125
(2-methoxyphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 8761548
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 7824841
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 3906998
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 8761529
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 5159053
acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 21266112
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 16580313
methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 559409

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The IUPAC name of 2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (CID 55316342) is 2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.
What is the SMILES notation for 2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The canonical SMILES for 2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is CC(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The InChIKey is RYWCGPVKXWFFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO6S/c1-13(18)12-23-16(19)7-4-14-2-5-15(6-3-14)24(20,21)17-8-10-22-11-9-17/h2-3,5-6H,4,7-12H2,1H3.
What are the key properties of 2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate has a molecular weight of 355.41 g/mol, XLogP of 0.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is sourced from PubChem (CID 55316342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).