2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

C20H20N4O8S — CID 4968274

IUPAC2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H20N4O8S/c25-17(13-24-19(27)18(26)23(20(24)28)12-15-4-2-8-32-15)21-14-3-1-5-16(11-14)33(29,30)22-6-9-31-10-7-22/h1-5,8,11H,6-7,9-10,12-13H2,(H,21,25)
InChIKeyLYNBOHVMVZMAOA-UHFFFAOYSA-N
MW476.47 g/mol
LogP0.23
Rot. Bonds7

About 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4968274) has the molecular formula C20H20N4O8S and a molecular weight of 476.47 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4968274
Molecular FormulaC20H20N4O8S
Molecular Weight476.47 g/mol
Exact Mass476.10
IUPAC Name2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H20N4O8S/c25-17(13-24-19(27)18(26)23(20(24)28)12-15-4-2-8-32-15)21-14-3-1-5-16(11-14)33(29,30)22-6-9-31-10-7-22/h1-5,8,11H,6-7,9-10,12-13H2,(H,21,25)
InChIKeyLYNBOHVMVZMAOA-UHFFFAOYSA-N
XLogP0.23
TPSA146.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 18287991
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 18205489
2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 24639699
2-[3-(2-methylcyclohexyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 42900159
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
7-amino-N-(3-morpholin-4-ylsulfonylphenyl)heptanamide
CID 119671799
2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119671802
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4577385
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3876207
2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3424032
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 3569637
2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 17070424

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (CID 4968274) is 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is LYNBOHVMVZMAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O8S/c25-17(13-24-19(27)18(26)23(20(24)28)12-15-4-2-8-32-15)21-14-3-1-5-16(11-14)33(29,30)22-6-9-31-10-7-22/h1-5,8,11H,6-7,9-10,12-13H2,(H,21,25).
What are the key properties of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 476.47 g/mol, XLogP of 0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4968274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).