methyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate

C18H16N2O6S — CID 10620298

IUPACmethyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate
SMILESCOC(=O)Cc1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H16N2O6S/c1-26-17(22)11-13-7-9-15(10-8-13)27(24,25)20-16(21)12-19(18(20)23)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyJCEMJGZVZXKQDD-UHFFFAOYSA-N
MW388.40 g/mol
LogP1.56
Rot. Bonds5

About methyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate

methyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate (PubChem CID 10620298) has the molecular formula C18H16N2O6S and a molecular weight of 388.40 g/mol. Its IUPAC name is methyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate
PubChem CID10620298
Molecular FormulaC18H16N2O6S
Molecular Weight388.40 g/mol
Exact Mass388.07
IUPAC Namemethyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate
SMILESCOC(=O)Cc1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H16N2O6S/c1-26-17(22)11-13-7-9-15(10-8-13)27(24,25)20-16(21)12-19(18(20)23)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyJCEMJGZVZXKQDD-UHFFFAOYSA-N
XLogP1.56
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate
CID 21472170
2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid
CID 21472135
3-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
CID 10524714
prop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate
CID 10739742
2-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid
CID 21472181
CID 172801156
CID 172801156
3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione
CID 21472173
methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 559409
carbon dioxide;methyl 2-phenylacetate
CID 159198536
methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate
CID 115650746
methyl 1-[4-(2-methoxy-2-oxoethyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693290
[4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 18076859

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate?
The IUPAC name of methyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate (CID 10620298) is methyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate.
What is the SMILES notation for methyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate?
The canonical SMILES for methyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate is COC(=O)Cc1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1.
What is the InChIKey of methyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate?
The InChIKey is JCEMJGZVZXKQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6S/c1-26-17(22)11-13-7-9-15(10-8-13)27(24,25)20-16(21)12-19(18(20)23)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of methyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate?
methyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate has a molecular weight of 388.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate is sourced from PubChem (CID 10620298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).