N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide

C20H20N2O5S — CID 56507418

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C20H20N2O5S/c1-12(2)28(26,27)13(3)18(23)21-14-7-6-8-15(11-14)22-19(24)16-9-4-5-10-17(16)20(22)25/h4-13H,1-3H3,(H,21,23)
InChIKeyVZDAGIMRLCPKAW-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.64
Rot. Bonds5

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide (PubChem CID 56507418) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide
PubChem CID56507418
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C20H20N2O5S/c1-12(2)28(26,27)13(3)18(23)21-14-7-6-8-15(11-14)22-19(24)16-9-4-5-10-17(16)20(22)25/h4-13H,1-3H3,(H,21,23)
InChIKeyVZDAGIMRLCPKAW-UHFFFAOYSA-N
XLogP2.64
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.64
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

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide
CID 56507324
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 960947
tert-butyl N-[(2R)-1-[3-(1,3-dioxoisoindol-2-yl)anilino]-1-oxopropan-2-yl]carbamate
CID 56509967
N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide
CID 113082971
2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide
CID 56508671
N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide
CID 839386
2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole
CID 110352273
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylsulfonylpropanamide
CID 55778796
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide
CID 56509709
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 56509582
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide
CID 110352271
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide (CID 56507418) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide is CC(C)S(=O)(=O)C(C)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide?
The InChIKey is VZDAGIMRLCPKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-12(2)28(26,27)13(3)18(23)21-14-7-6-8-15(11-14)22-19(24)16-9-4-5-10-17(16)20(22)25/h4-13H,1-3H3,(H,21,23).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide has a molecular weight of 400.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 56507418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).