[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate

C24H24N2O6S — CID 55495394

IUPAC[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C24H24N2O6S/c1-17-20-6-2-3-7-21(20)24(29)26(17)15-12-23(28)32-16-22(27)18-8-10-19(11-9-18)33(30,31)25-13-4-5-14-25/h2-3,6-11H,1,4-5,12-16H2
InChIKeyWAKDOLFFZRNSCQ-UHFFFAOYSA-N
MW468.53 g/mol
LogP2.71
Rot. Bonds8

About [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate

[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate (PubChem CID 55495394) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate
PubChem CID55495394
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Name[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C24H24N2O6S/c1-17-20-6-2-3-7-21(20)24(29)26(17)15-12-23(28)32-16-22(27)18-8-10-19(11-9-18)33(30,31)25-13-4-5-14-25/h2-3,6-11H,1,4-5,12-16H2
InChIKeyWAKDOLFFZRNSCQ-UHFFFAOYSA-N
XLogP2.71
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (2R)-2-phenoxypropanoate
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[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 1-ethylsulfonylpiperidine-4-carboxylate
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[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
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[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate
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[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 1-methylpyrrole-2-carboxylate
CID 7554263
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 4-oxochromene-2-carboxylate
CID 46788299
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate?
The IUPAC name of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate (CID 55495394) is [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate?
The canonical SMILES for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate is C=C1c2ccccc2C(=O)N1CCC(=O)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate?
The InChIKey is WAKDOLFFZRNSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-17-20-6-2-3-7-21(20)24(29)26(17)15-12-23(28)32-16-22(27)18-8-10-19(11-9-18)33(30,31)25-13-4-5-14-25/h2-3,6-11H,1,4-5,12-16H2.
What are the key properties of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate?
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate has a molecular weight of 468.53 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate is sourced from PubChem (CID 55495394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).