N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide

C26H33N3O5S — CID 20629318

IUPACN-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCCC(C)c1ccc(N2C(=O)c3ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc3C2=O)cc1
InChIInChI=1S/C26H33N3O5S/c1-5-18(4)19-9-12-21(13-10-19)29-25(31)22-14-11-20(16-23(22)26(29)32)28-24(30)8-6-7-15-27-35(33,34)17(2)3/h9-14,16-18,27H,5-8,15H2,1-4H3,(H,28,30)
InChIKeyOSPNKCMGIHTLEY-UHFFFAOYSA-N
MW499.63 g/mol
LogP4.44
Rot. Bonds11

About N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide

N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 20629318) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID20629318
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC NameN-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCCC(C)c1ccc(N2C(=O)c3ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc3C2=O)cc1
InChIInChI=1S/C26H33N3O5S/c1-5-18(4)19-9-12-21(13-10-19)29-25(31)22-14-11-20(16-23(22)26(29)32)28-24(30)8-6-7-15-27-35(33,34)17(2)3/h9-14,16-18,27H,5-8,15H2,1-4H3,(H,28,30)
InChIKeyOSPNKCMGIHTLEY-UHFFFAOYSA-N
XLogP4.44
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629138
5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione
CID 59230472
N-(4-butan-2-ylphenyl)tetradecanamide
CID 4191696
N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide
CID 20630493
N-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629316
N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide
CID 59230593
N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide
CID 171981229
N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1300800
N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629196
N-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20630093
N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629231
5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide
CID 20630489

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide (CID 20629318) is N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide is CCC(C)c1ccc(N2C(=O)c3ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc3C2=O)cc1.
What is the InChIKey of N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is OSPNKCMGIHTLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-5-18(4)19-9-12-21(13-10-19)29-25(31)22-14-11-20(16-23(22)26(29)32)28-24(30)8-6-7-15-27-35(33,34)17(2)3/h9-14,16-18,27H,5-8,15H2,1-4H3,(H,28,30).
What are the key properties of N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide?
N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 499.63 g/mol, XLogP of 4.44, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 20629318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).