[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

C22H25N3O8S — CID 16527643

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H25N3O8S/c26-20(23-7-9-24(10-8-23)21(27)19-2-1-13-32-19)16-33-22(28)17-3-5-18(6-4-17)34(29,30)25-11-14-31-15-12-25/h1-6,13H,7-12,14-16H2
InChIKeyOYRFPHIWYSCDLF-UHFFFAOYSA-N
MW491.52 g/mol
LogP0.44
Rot. Bonds6

About [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 16527643) has the molecular formula C22H25N3O8S and a molecular weight of 491.52 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
PubChem CID16527643
Molecular FormulaC22H25N3O8S
Molecular Weight491.52 g/mol
Exact Mass491.14
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H25N3O8S/c26-20(23-7-9-24(10-8-23)21(27)19-2-1-13-32-19)16-33-22(28)17-3-5-18(6-4-17)34(29,30)25-11-14-31-15-12-25/h1-6,13H,7-12,14-16H2
InChIKeyOYRFPHIWYSCDLF-UHFFFAOYSA-N
XLogP0.44
TPSA126.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-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-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 2388350
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] furan-2-carboxylate
CID 2640416
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2391025
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate
CID 7868503
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(azepan-1-ylsulfonyl)benzoate
CID 2557964
(2-morpholin-4-yl-2-oxoethyl) 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 7197127
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504418
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4-sulfamoylbenzoate
CID 55312799
[2-oxo-2-(2-phenylethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 55314397
[2-(azepan-1-yl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521666
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4-phenylbenzoate
CID 2520536
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943477

Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (CID 16527643) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is OYRFPHIWYSCDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O8S/c26-20(23-7-9-24(10-8-23)21(27)19-2-1-13-32-19)16-33-22(28)17-3-5-18(6-4-17)34(29,30)25-11-14-31-15-12-25/h1-6,13H,7-12,14-16H2.
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 491.52 g/mol, XLogP of 0.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 16527643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).