4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide

C25H23N3O5S — CID 1119719

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C25H23N3O5S/c1-17-8-14-20(15-9-17)34(32,33)27-19-12-10-18(11-13-19)26-23(29)7-4-16-28-24(30)21-5-2-3-6-22(21)25(28)31/h2-3,5-6,8-15,27H,4,7,16H2,1H3,(H,26,29)
InChIKeyOTGAIKJAXBEEJE-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.81
Rot. Bonds8

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

4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide (PubChem CID 1119719) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
PubChem CID1119719
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C25H23N3O5S/c1-17-8-14-20(15-9-17)34(32,33)27-19-12-10-18(11-13-19)26-23(29)7-4-16-28-24(30)21-5-2-3-6-22(21)25(28)31/h2-3,5-6,8-15,27H,4,7,16H2,1H3,(H,26,29)
InChIKeyOTGAIKJAXBEEJE-UHFFFAOYSA-N
XLogP3.81
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-11-(1,3-dioxoisoindol-2-yl)undecanamide
CID 3336490
3-(1,3-dioxoisoindol-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8752768
N-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 30436881
N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2303121
N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2953922
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 94830981
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylsulfonylphenyl)butanamide
CID 26239284
N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2204148
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide
CID 2880732
2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide
CID 24638088
N-[4-(methylcarbamoylamino)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55520752

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide (CID 1119719) is 4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide?
The InChIKey is OTGAIKJAXBEEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-17-8-14-20(15-9-17)34(32,33)27-19-12-10-18(11-13-19)26-23(29)7-4-16-28-24(30)21-5-2-3-6-22(21)25(28)31/h2-3,5-6,8-15,27H,4,7,16H2,1H3,(H,26,29).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide has a molecular weight of 477.54 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide is sourced from PubChem (CID 1119719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).