2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide

C24H27N3O5S — CID 26252592

IUPAC2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2C1=O
InChIInChI=1S/C24H27N3O5S/c1-2-3-15-27-23(29)20-12-7-17(16-21(20)24(27)30)22(28)25-18-8-10-19(11-9-18)33(31,32)26-13-5-4-6-14-26/h7-12,16H,2-6,13-15H2,1H3,(H,25,28)
InChIKeyLEAILVMHMPNEMW-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.51
Rot. Bonds7

About 2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide

2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide (PubChem CID 26252592) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is 2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide
PubChem CID26252592
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2C1=O
InChIInChI=1S/C24H27N3O5S/c1-2-3-15-27-23(29)20-12-7-17(16-21(20)24(27)30)22(28)25-18-8-10-19(11-9-18)33(31,32)26-13-5-4-6-14-26/h7-12,16H,2-6,13-15H2,1H3,(H,25,28)
InChIKeyLEAILVMHMPNEMW-UHFFFAOYSA-N
XLogP3.51
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.51
H-Bond Donors ≤ 51
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-(3-pyrrolidin-1-ylsulfonylphenyl)isoindole-5-carboxamide
CID 5135886
2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide
CID 24638088
ethyl 4-[5-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-1,3-dioxoisoindol-2-yl]piperidine-1-carboxylate
CID 46253378
N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8961050
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-[3-(azepan-1-yl)propyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 30942271
2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32603541
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3900197
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide
CID 60525217
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide?
The IUPAC name of 2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide (CID 26252592) is 2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide?
The canonical SMILES for 2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2C1=O.
What is the InChIKey of 2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide?
The InChIKey is LEAILVMHMPNEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-2-3-15-27-23(29)20-12-7-17(16-21(20)24(27)30)22(28)25-18-8-10-19(11-9-18)33(31,32)26-13-5-4-6-14-26/h7-12,16H,2-6,13-15H2,1H3,(H,25,28).
What are the key properties of 2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide?
2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide is sourced from PubChem (CID 26252592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).