2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide

C23H26N4O5S — CID 55374352

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)N3C(=O)c4ccccc4C3=O)cc2)CC1
InChIInChI=1S/C23H26N4O5S/c1-3-25-12-14-26(15-13-25)33(31,32)18-10-8-17(9-11-18)24-21(28)16(2)27-22(29)19-6-4-5-7-20(19)23(27)30/h4-11,16H,3,12-15H2,1-2H3,(H,24,28)
InChIKeyGASRGIMOZFZFLM-UHFFFAOYSA-N
MW470.55 g/mol
LogP1.64
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide

2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide (PubChem CID 55374352) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide
PubChem CID55374352
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)N3C(=O)c4ccccc4C3=O)cc2)CC1
InChIInChI=1S/C23H26N4O5S/c1-3-25-12-14-26(15-13-25)33(31,32)18-10-8-17(9-11-18)24-21(28)16(2)27-22(29)19-6-4-5-7-20(19)23(27)30/h4-11,16H,3,12-15H2,1-2H3,(H,24,28)
InChIKeyGASRGIMOZFZFLM-UHFFFAOYSA-N
XLogP1.64
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3340504
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 3340600
(2S)-N-[4-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 8917851
4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 4523065
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine
CID 110757634
(2R)-N-(4-acetamidophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2473966
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-chlorophenyl)propanamide
CID 8512070
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-sulfamoylphenyl)butanamide
CID 1306467
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55340898

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide (CID 55374352) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide is CCN1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)N3C(=O)c4ccccc4C3=O)cc2)CC1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is GASRGIMOZFZFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-3-25-12-14-26(15-13-25)33(31,32)18-10-8-17(9-11-18)24-21(28)16(2)27-22(29)19-6-4-5-7-20(19)23(27)30/h4-11,16H,3,12-15H2,1-2H3,(H,24,28).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 470.55 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 55374352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).