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

C23H25N3O5S — CID 2937288

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)CC1
InChIInChI=1S/C23H25N3O5S/c1-16-10-13-25(14-11-16)32(30,31)18-8-6-17(7-9-18)24-21(27)12-15-26-22(28)19-4-2-3-5-20(19)23(26)29/h2-9,16H,10-15H2,1H3,(H,24,27)
InChIKeyZVQUPVBPPQYRPE-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.73
Rot. Bonds6

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

3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide (PubChem CID 2937288) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
PubChem CID2937288
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)CC1
InChIInChI=1S/C23H25N3O5S/c1-16-10-13-25(14-11-16)32(30,31)18-8-6-17(7-9-18)24-21(27)12-15-26-22(28)19-4-2-3-5-20(19)23(26)29/h2-9,16H,10-15H2,1H3,(H,24,27)
InChIKeyZVQUPVBPPQYRPE-UHFFFAOYSA-N
XLogP2.73
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide (CID 2937288) is 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)CC1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is ZVQUPVBPPQYRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-16-10-13-25(14-11-16)32(30,31)18-8-6-17(7-9-18)24-21(27)12-15-26-22(28)19-4-2-3-5-20(19)23(26)29/h2-9,16H,10-15H2,1H3,(H,24,27).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 455.54 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 2937288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).