[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate

C24H25N3O7S — CID 4306711

IUPAC[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H25N3O7S/c1-16(27-22(29)19-7-3-4-8-20(19)23(27)30)24(31)34-15-21(28)25-17-9-11-18(12-10-17)35(32,33)26-13-5-2-6-14-26/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,25,28)
InChIKeyBNDLAUCBYGYPMD-UHFFFAOYSA-N
MW499.55 g/mol
LogP2.03
Rot. Bonds7

About [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate

[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 4306711) has the molecular formula C24H25N3O7S and a molecular weight of 499.55 g/mol. Its IUPAC name is [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID4306711
Molecular FormulaC24H25N3O7S
Molecular Weight499.55 g/mol
Exact Mass499.14
IUPAC Name[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H25N3O7S/c1-16(27-22(29)19-7-3-4-8-20(19)23(27)30)24(31)34-15-21(28)25-17-9-11-18(12-10-17)35(32,33)26-13-5-2-6-14-26/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,25,28)
InChIKeyBNDLAUCBYGYPMD-UHFFFAOYSA-N
XLogP2.03
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-3-oxoisoindoline-4-carboxamide
CID 6619553
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
2,3-Dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 3587175
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 4121579
N-{4-[(diethylamino)sulfonyl]phenyl}-2-(2-methoxyethyl)-3-oxoisoindoline-4-carboxamide
CID 3235931
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethyl)-3-oxoisoindoline-4-carboxamide
CID 3237334
2-(2-methoxyethyl)-3-oxo-N-[4-(piperidin-1-ylsulfonyl)phenyl]isoindoline-4-carboxamide
CID 3245754
ethyl 4-(1-{[4-(morpholin-4-ylsulfonyl)phenyl]amino}-3-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-1-carboxylate
CID 16194430
2-[4-(Morpholin-4-ylsulfonyl)phenyl]benzo[c]azolidine-1,3-dione
CID 969454
2-(Piperidine-1-carbonyl)-N-(4-sulfamoyl-phenyl)-benzamide
CID 646326
4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-isopropyl-benzenesulfonamide
CID 815028
3,4-Dimethyl-N-[4-(morpholine-4-sulfonyl)-phenyl]-benzamide
CID 1164273

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate (CID 4306711) is [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate is CC(C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is BNDLAUCBYGYPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O7S/c1-16(27-22(29)19-7-3-4-8-20(19)23(27)30)24(31)34-15-21(28)25-17-9-11-18(12-10-17)35(32,33)26-13-5-2-6-14-26/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,25,28).
What are the key properties of [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 499.55 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 4306711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).