2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide

C25H23N3O5S — CID 24638088

IUPAC2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2C1=O
InChIInChI=1S/C25H23N3O5S/c1-2-3-15-28-24(30)21-14-9-17(16-22(21)25(28)31)23(29)26-18-10-12-20(13-11-18)34(32,33)27-19-7-5-4-6-8-19/h4-14,16,27H,2-3,15H2,1H3,(H,26,29)
InChIKeyUCPWXIUDJVNISW-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.14
Rot. Bonds8

About 2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide

2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide (PubChem CID 24638088) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is 2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide
PubChem CID24638088
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC Name2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2C1=O
InChIInChI=1S/C25H23N3O5S/c1-2-3-15-28-24(30)21-14-9-17(16-22(21)25(28)31)23(29)26-18-10-12-20(13-11-18)34(32,33)27-19-7-5-4-6-8-19/h4-14,16,27H,2-3,15H2,1H3,(H,26,29)
InChIKeyUCPWXIUDJVNISW-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
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

2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide
CID 26252592
2-butyl-1,3-dioxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)isoindole-5-carboxamide
CID 5135886
2-butyl-1,3-dioxo-N-[3-(thiophene-2-carbonylamino)phenyl]isoindole-5-carboxamide
CID 31520702
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 27160971
4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 1119719
N-(4-acetamido-3-chlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 25469263
N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 27648770
4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide
CID 2231369
N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46554436
2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 55768874

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide?
The IUPAC name of 2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide (CID 24638088) is 2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide?
The canonical SMILES for 2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2C1=O.
What is the InChIKey of 2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide?
The InChIKey is UCPWXIUDJVNISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-2-3-15-28-24(30)21-14-9-17(16-22(21)25(28)31)23(29)26-18-10-12-20(13-11-18)34(32,33)27-19-7-5-4-6-8-19/h4-14,16,27H,2-3,15H2,1H3,(H,26,29).
What are the key properties of 2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide?
2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide is sourced from PubChem (CID 24638088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).