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

C23H25N3O5S — CID 55817431

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H25N3O5S/c27-21(13-8-16-26-22(28)17-9-2-3-10-18(17)23(26)29)24-19-11-4-5-12-20(19)32(30,31)25-14-6-1-7-15-25/h2-5,9-12H,1,6-8,13-16H2,(H,24,27)
InChIKeyVDOPRIOKUHUTEF-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.88
Rot. Bonds7

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

4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide (PubChem CID 55817431) 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-(2-piperidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
PubChem CID55817431
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H25N3O5S/c27-21(13-8-16-26-22(28)17-9-2-3-10-18(17)23(26)29)24-19-11-4-5-12-20(19)32(30,31)25-14-6-1-7-15-25/h2-5,9-12H,1,6-8,13-16H2,(H,24,27)
InChIKeyVDOPRIOKUHUTEF-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

4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 31009302
4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 4844189
4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide
CID 9271276
3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 26775491
6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide
CID 108759249
4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
CID 55920587
4-(1,3-dioxoisoindol-2-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 2138961
N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 39072386
3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide
CID 52662681
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide
CID 110361837
4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 108933494

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide (CID 55817431) is 4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is VDOPRIOKUHUTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c27-21(13-8-16-26-22(28)17-9-2-3-10-18(17)23(26)29)24-19-11-4-5-12-20(19)32(30,31)25-14-6-1-7-15-25/h2-5,9-12H,1,6-8,13-16H2,(H,24,27).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(2-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-(2-piperidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 55817431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).