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

C23H25N3O5S — CID 31009302

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H25N3O5S/c27-21(12-7-15-26-22(28)19-10-2-3-11-20(19)23(26)29)24-17-8-6-9-18(16-17)32(30,31)25-13-4-1-5-14-25/h2-3,6,8-11,16H,1,4-5,7,12-15H2,(H,24,27)
InChIKeyNHSCLXMAMIWCPG-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.88
Rot. Bonds7

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

4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide (PubChem CID 31009302) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
PubChem CID31009302
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H25N3O5S/c27-21(12-7-15-26-22(28)19-10-2-3-11-20(19)23(26)29)24-17-8-6-9-18(16-17)32(30,31)25-13-4-1-5-14-25/h2-3,6,8-11,16H,1,4-5,7,12-15H2,(H,24,27)
InChIKeyNHSCLXMAMIWCPG-UHFFFAOYSA-N
XLogP2.88
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.88
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-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16591807
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide
CID 110362135
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
CID 55817431
4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 4844189
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 18205489
2-butyl-1,3-dioxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)isoindole-5-carboxamide
CID 5135886
N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide
CID 31009310
4-(1,3-dioxoisoindol-2-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 2138961
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoic acid
CID 1238428

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide (CID 31009302) is 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is NHSCLXMAMIWCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c27-21(12-7-15-26-22(28)19-10-2-3-11-20(19)23(26)29)24-17-8-6-9-18(16-17)32(30,31)25-13-4-1-5-14-25/h2-3,6,8-11,16H,1,4-5,7,12-15H2,(H,24,27).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 455.54 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 31009302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).