N-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide

C24H25N3O6S — CID 170731879

IUPACN-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)CCCC2=O)C3=O)c1
InChIInChI=1S/C24H25N3O6S/c1-34(32,33)26-18-5-2-4-15(12-18)23(30)25-17-8-10-20-16(13-17)14-27(24(20)31)21-11-9-19(28)6-3-7-22(21)29/h2,4-5,8,10,12-13,21,26H,3,6-7,9,11,14H2,1H3,(H,25,30)
InChIKeyPNVHTBPDGUUWJA-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.74
Rot. Bonds5

About N-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide

N-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide (PubChem CID 170731879) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide
PubChem CID170731879
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC NameN-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)CCCC2=O)C3=O)c1
InChIInChI=1S/C24H25N3O6S/c1-34(32,33)26-18-5-2-4-15(12-18)23(30)25-17-8-10-20-16(13-17)14-27(24(20)31)21-11-9-19(28)6-3-7-22(21)29/h2,4-5,8,10,12-13,21,26H,3,6-7,9,11,14H2,1H3,(H,25,30)
InChIKeyPNVHTBPDGUUWJA-UHFFFAOYSA-N
XLogP2.74
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide (CID 170731879) is N-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)CCCC2=O)C3=O)c1.
What is the InChIKey of N-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide?
The InChIKey is PNVHTBPDGUUWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-34(32,33)26-18-5-2-4-15(12-18)23(30)25-17-8-10-20-16(13-17)14-27(24(20)31)21-11-9-19(28)6-3-7-22(21)29/h2,4-5,8,10,12-13,21,26H,3,6-7,9,11,14H2,1H3,(H,25,30).
What are the key properties of N-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide?
N-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide has a molecular weight of 483.55 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 170731879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).