2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide

C22H25N3O5S — CID 110839448

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
SMILESCCC(C)C(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H25N3O5S/c1-3-14(2)19(25-21(27)17-6-4-5-7-18(17)22(25)28)20(26)24-13-12-15-8-10-16(11-9-15)31(23,29)30/h4-11,14,19H,3,12-13H2,1-2H3,(H,24,26)(H2,23,29,30)
InChIKeyPZZDATSNITWBKI-UHFFFAOYSA-N
MW443.53 g/mol
LogP1.70
Rot. Bonds8

About 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide

2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide (PubChem CID 110839448) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
PubChem CID110839448
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
SMILESCCC(C)C(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H25N3O5S/c1-3-14(2)19(25-21(27)17-6-4-5-7-18(17)22(25)28)20(26)24-13-12-15-8-10-16(11-9-15)31(23,29)30/h4-11,14,19H,3,12-13H2,1-2H3,(H,24,26)(H2,23,29,30)
InChIKeyPZZDATSNITWBKI-UHFFFAOYSA-N
XLogP1.70
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide 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 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide (CID 110839448) is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide is CCC(C)C(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The InChIKey is PZZDATSNITWBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-3-14(2)19(25-21(27)17-6-4-5-7-18(17)22(25)28)20(26)24-13-12-15-8-10-16(11-9-15)31(23,29)30/h4-11,14,19H,3,12-13H2,1-2H3,(H,24,26)(H2,23,29,30).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide has a molecular weight of 443.53 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide is sourced from PubChem (CID 110839448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).