3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide

C23H25N3O5S — CID 26775491

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H25N3O5S/c1-16-9-10-17(32(30,31)25-12-5-2-6-13-25)15-20(16)24-21(27)11-14-26-22(28)18-7-3-4-8-19(18)23(26)29/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,24,27)
InChIKeyGSOQOTOQPWWSHK-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.79
Rot. Bonds6

About 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide

3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 26775491) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID26775491
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H25N3O5S/c1-16-9-10-17(32(30,31)25-12-5-2-6-13-25)15-20(16)24-21(27)11-14-26-22(28)18-7-3-4-8-19(18)23(26)29/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,24,27)
InChIKeyGSOQOTOQPWWSHK-UHFFFAOYSA-N
XLogP2.79
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.79
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

3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 51512136
3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide
CID 110362187
4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 4844189
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 3312619
3-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-methylbenzoic acid
CID 1250549
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 26012066
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 31009302
2-(2-fluorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4798645
3-(furan-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 26524387
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
CID 55817431
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894842
2-(2,3-dimethylanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080862

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide (CID 26775491) is 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is GSOQOTOQPWWSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-16-9-10-17(32(30,31)25-12-5-2-6-13-25)15-20(16)24-21(27)11-14-26-22(28)18-7-3-4-8-19(18)23(26)29/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,24,27).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 455.54 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 26775491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).