6-(1,3-dioxoisoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)hexanamide

C25H29N3O5S — CID 3243667

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H29N3O5S/c29-23(11-3-1-8-18-28-24(30)21-9-4-5-10-22(21)25(28)31)26-19-12-14-20(15-13-19)34(32,33)27-16-6-2-7-17-27/h4-5,9-10,12-15H,1-3,6-8,11,16-18H2,(H,26,29)
InChIKeyLXFDNFXNLGHABV-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.66
Rot. Bonds9

About 6-(1,3-dioxoisoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)hexanamide

6-(1,3-dioxoisoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)hexanamide (PubChem CID 3243667) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)hexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)hexanamide
PubChem CID3243667
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H29N3O5S/c29-23(11-3-1-8-18-28-24(30)21-9-4-5-10-22(21)25(28)31)26-19-12-14-20(15-13-19)34(32,33)27-16-6-2-7-17-27/h4-5,9-10,12-15H,1-3,6-8,11,16-18H2,(H,26,29)
InChIKeyLXFDNFXNLGHABV-UHFFFAOYSA-N
XLogP3.66
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)hexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)hexanamide (CID 3243667) is 6-(1,3-dioxoisoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)hexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)hexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)hexanamide is O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)hexanamide?
The InChIKey is LXFDNFXNLGHABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c29-23(11-3-1-8-18-28-24(30)21-9-4-5-10-22(21)25(28)31)26-19-12-14-20(15-13-19)34(32,33)27-16-6-2-7-17-27/h4-5,9-10,12-15H,1-3,6-8,11,16-18H2,(H,26,29).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)hexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)hexanamide has a molecular weight of 483.59 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)hexanamide is sourced from PubChem (CID 3243667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).