[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate

C18H19N5O9S — CID 42985385

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1)OCC(=O)N1CCNC1=O
InChIInChI=1S/C18H19N5O9S/c24-16(22-6-5-19-18(22)26)11-32-17(25)10-21-33(29,30)13-3-4-14(15(8-13)23(27)28)20-9-12-2-1-7-31-12/h1-4,7-8,20-21H,5-6,9-11H2,(H,19,26)
InChIKeyXRPVYFBKDFVYCG-UHFFFAOYSA-N
MW481.44 g/mol
LogP0.17
Rot. Bonds10

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate (PubChem CID 42985385) has the molecular formula C18H19N5O9S and a molecular weight of 481.44 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate
PubChem CID42985385
Molecular FormulaC18H19N5O9S
Molecular Weight481.44 g/mol
Exact Mass481.09
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1)OCC(=O)N1CCNC1=O
InChIInChI=1S/C18H19N5O9S/c24-16(22-6-5-19-18(22)26)11-32-17(25)10-21-33(29,30)13-3-4-14(15(8-13)23(27)28)20-9-12-2-1-7-31-12/h1-4,7-8,20-21H,5-6,9-11H2,(H,19,26)
InChIKeyXRPVYFBKDFVYCG-UHFFFAOYSA-N
XLogP0.17
TPSA190.19 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.44
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate 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-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 5016410
2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 7063211
(2-amino-2-oxo-1-phenylethyl) 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 16961726
N-[(4-fluorophenyl)methyl]-2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetamide
CID 4831855
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate
CID 7175615
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7149855
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 4847619
4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline
CID 43218082
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7553820
[2-(N-ethylanilino)-2-oxoethyl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 42975484
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 30995341
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 55309127

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate (CID 42985385) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate is O=C(CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1)OCC(=O)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate?
The InChIKey is XRPVYFBKDFVYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O9S/c24-16(22-6-5-19-18(22)26)11-32-17(25)10-21-33(29,30)13-3-4-14(15(8-13)23(27)28)20-9-12-2-1-7-31-12/h1-4,7-8,20-21H,5-6,9-11H2,(H,19,26).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate has a molecular weight of 481.44 g/mol, XLogP of 0.17, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate is sourced from PubChem (CID 42985385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).