4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide

C25H30N4O5S — CID 29196602

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CCNC(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc1
InChIInChI=1S/C25H30N4O5S/c1-19-8-10-20(11-9-19)35(33,34)28-17-15-27(16-18-28)14-12-26-23(30)7-4-13-29-24(31)21-5-2-3-6-22(21)25(29)32/h2-3,5-6,8-11H,4,7,12-18H2,1H3,(H,26,30)
InChIKeyWWHVLCOBWFXFOE-UHFFFAOYSA-N
MW498.61 g/mol
LogP1.49
Rot. Bonds9

About 4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide (PubChem CID 29196602) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide
PubChem CID29196602
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CCNC(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc1
InChIInChI=1S/C25H30N4O5S/c1-19-8-10-20(11-9-19)35(33,34)28-17-15-27(16-18-28)14-12-26-23(30)7-4-13-29-24(31)21-5-2-3-6-22(21)25(29)32/h2-3,5-6,8-11H,4,7,12-18H2,1H3,(H,26,30)
InChIKeyWWHVLCOBWFXFOE-UHFFFAOYSA-N
XLogP1.49
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196348
2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196399
6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide
CID 108759249
2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide
CID 18571803
N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 3342078
2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571824
4-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]butanoic acid
CID 119352613
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 50767882
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574012
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18571835

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide (CID 29196602) is 4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide is Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide?
The InChIKey is WWHVLCOBWFXFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-19-8-10-20(11-9-19)35(33,34)28-17-15-27(16-18-28)14-12-26-23(30)7-4-13-29-24(31)21-5-2-3-6-22(21)25(29)32/h2-3,5-6,8-11H,4,7,12-18H2,1H3,(H,26,30).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide has a molecular weight of 498.61 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide is sourced from PubChem (CID 29196602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).