N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide

C17H23N3O5S — CID 20629138

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C17H23N3O5S/c1-11(2)26(24,25)18-9-5-4-6-15(21)19-12-7-8-13-14(10-12)17(23)20(3)16(13)22/h7-8,10-11,18H,4-6,9H2,1-3H3,(H,19,21)
InChIKeyUHOYZPUFPYDVOY-UHFFFAOYSA-N
MW381.45 g/mol
LogP1.35
Rot. Bonds8

About N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide

N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 20629138) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID20629138
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C17H23N3O5S/c1-11(2)26(24,25)18-9-5-4-6-15(21)19-12-7-8-13-14(10-12)17(23)20(3)16(13)22/h7-8,10-11,18H,4-6,9H2,1-3H3,(H,19,21)
InChIKeyUHOYZPUFPYDVOY-UHFFFAOYSA-N
XLogP1.35
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 51.35
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-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629318
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 18070369
N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629196
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-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]hexanamide
CID 5204530
N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide
CID 20630493
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 60841920
3-(4-chlorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 7544230
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

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide (CID 20629138) is N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide is CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is UHOYZPUFPYDVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-11(2)26(24,25)18-9-5-4-6-15(21)19-12-7-8-13-14(10-12)17(23)20(3)16(13)22/h7-8,10-11,18H,4-6,9H2,1-3H3,(H,19,21).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 381.45 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 20629138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).