[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate

C15H19N3O6S — CID 7768116

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCNC2=O)c1
InChIInChI=1S/C15H19N3O6S/c1-10(2)17-25(22,23)12-5-3-4-11(8-12)14(20)24-9-13(19)18-7-6-16-15(18)21/h3-5,8,10,17H,6-7,9H2,1-2H3,(H,16,21)
InChIKeySYPBKXMYLYPUCH-UHFFFAOYSA-N
MW369.40 g/mol
LogP0.08
Rot. Bonds6

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate (PubChem CID 7768116) has the molecular formula C15H19N3O6S and a molecular weight of 369.40 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate
PubChem CID7768116
Molecular FormulaC15H19N3O6S
Molecular Weight369.40 g/mol
Exact Mass369.10
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCNC2=O)c1
InChIInChI=1S/C15H19N3O6S/c1-10(2)17-25(22,23)12-5-3-4-11(8-12)14(20)24-9-13(19)18-7-6-16-15(18)21/h3-5,8,10,17H,6-7,9H2,1-2H3,(H,16,21)
InChIKeySYPBKXMYLYPUCH-UHFFFAOYSA-N
XLogP0.08
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate
CID 7694446
(1,3-dioxoisoindol-2-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate
CID 41214201
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2631595
[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 7768418
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 7768037
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(prop-2-enylsulfamoyl)benzoate
CID 8987332
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 8705386
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 55402128
(1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate
CID 78797354
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7194469
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 34879550
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 41199330

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate (CID 7768116) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate is CC(C)NS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCNC2=O)c1.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate?
The InChIKey is SYPBKXMYLYPUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6S/c1-10(2)17-25(22,23)12-5-3-4-11(8-12)14(20)24-9-13(19)18-7-6-16-15(18)21/h3-5,8,10,17H,6-7,9H2,1-2H3,(H,16,21).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate has a molecular weight of 369.40 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate is sourced from PubChem (CID 7768116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).