1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]imidazolidin-2-one

C12H17N3O4S — CID 81206716

IUPAC1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]imidazolidin-2-one
SMILESCOc1cc(N)ccc1S(=O)(=O)CCN1CCNC1=O
InChIInChI=1S/C12H17N3O4S/c1-19-10-8-9(13)2-3-11(10)20(17,18)7-6-15-5-4-14-12(15)16/h2-3,8H,4-7,13H2,1H3,(H,14,16)
InChIKeyOVZVWVGSGIHLPO-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.08
Rot. Bonds5

About 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]imidazolidin-2-one

1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]imidazolidin-2-one (PubChem CID 81206716) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]imidazolidin-2-one
PubChem CID81206716
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]imidazolidin-2-one
SMILESCOc1cc(N)ccc1S(=O)(=O)CCN1CCNC1=O
InChIInChI=1S/C12H17N3O4S/c1-19-10-8-9(13)2-3-11(10)20(17,18)7-6-15-5-4-14-12(15)16/h2-3,8H,4-7,13H2,1H3,(H,14,16)
InChIKeyOVZVWVGSGIHLPO-UHFFFAOYSA-N
XLogP0.08
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]imidazolidin-2-one (CID 81206716) is 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]imidazolidin-2-one is COc1cc(N)ccc1S(=O)(=O)CCN1CCNC1=O.
What is the InChIKey of 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]imidazolidin-2-one?
The InChIKey is OVZVWVGSGIHLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-19-10-8-9(13)2-3-11(10)20(17,18)7-6-15-5-4-14-12(15)16/h2-3,8H,4-7,13H2,1H3,(H,14,16).
What are the key properties of 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]imidazolidin-2-one?
1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]imidazolidin-2-one has a molecular weight of 299.35 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]imidazolidin-2-one is sourced from PubChem (CID 81206716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).