[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate

C15H19N3O6S — CID 7234484

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCNC2=O)cc1C
InChIInChI=1S/C15H19N3O6S/c1-10-3-4-12(7-11(10)2)25(22,23)17-8-14(20)24-9-13(19)18-6-5-16-15(18)21/h3-4,7,17H,5-6,8-9H2,1-2H3,(H,16,21)
InChIKeyXSDSYCYNIVFCHV-UHFFFAOYSA-N
MW369.40 g/mol
LogP-0.32
Rot. Bonds6

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate (PubChem CID 7234484) 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] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
PubChem CID7234484
Molecular FormulaC15H19N3O6S
Molecular Weight369.40 g/mol
Exact Mass369.10
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCNC2=O)cc1C
InChIInChI=1S/C15H19N3O6S/c1-10-3-4-12(7-11(10)2)25(22,23)17-8-14(20)24-9-13(19)18-6-5-16-15(18)21/h3-4,7,17H,5-6,8-9H2,1-2H3,(H,16,21)
InChIKeyXSDSYCYNIVFCHV-UHFFFAOYSA-N
XLogP-0.32
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 ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate (CID 7234484) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCNC2=O)cc1C.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The InChIKey is XSDSYCYNIVFCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6S/c1-10-3-4-12(7-11(10)2)25(22,23)17-8-14(20)24-9-13(19)18-6-5-16-15(18)21/h3-4,7,17H,5-6,8-9H2,1-2H3,(H,16,21).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate has a molecular weight of 369.40 g/mol, XLogP of -0.32, 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] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 7234484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).