2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide

C23H25N3O6S — CID 2937874

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCC(C)C(C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H25N3O6S/c1-15(2)20(26-22(28)18-5-3-4-6-19(18)23(26)29)21(27)24-16-7-9-17(10-8-16)33(30,31)25-11-13-32-14-12-25/h3-10,15,20H,11-14H2,1-2H3,(H,24,27)
InChIKeyCTUFNKONUQFRNU-UHFFFAOYSA-N
MW471.54 g/mol
LogP1.97
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide

2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide (PubChem CID 2937874) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
PubChem CID2937874
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCC(C)C(C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H25N3O6S/c1-15(2)20(26-22(28)18-5-3-4-6-19(18)23(26)29)21(27)24-16-7-9-17(10-8-16)33(30,31)25-11-13-32-14-12-25/h3-10,15,20H,11-14H2,1-2H3,(H,24,27)
InChIKeyCTUFNKONUQFRNU-UHFFFAOYSA-N
XLogP1.97
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide (CID 2937874) is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide is CC(C)C(C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The InChIKey is CTUFNKONUQFRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-15(2)20(26-22(28)18-5-3-4-6-19(18)23(26)29)21(27)24-16-7-9-17(10-8-16)33(30,31)25-11-13-32-14-12-25/h3-10,15,20H,11-14H2,1-2H3,(H,24,27).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide has a molecular weight of 471.54 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 2937874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).