4-(1,3-dioxoisoindol-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

C22H19N5O5S — CID 1305986

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C22H19N5O5S/c28-19(7-3-14-27-20(29)17-5-1-2-6-18(17)21(27)30)25-15-8-10-16(11-9-15)33(31,32)26-22-23-12-4-13-24-22/h1-2,4-6,8-13H,3,7,14H2,(H,25,28)(H,23,24,26)
InChIKeyJDDRWWQEQNMSDS-UHFFFAOYSA-N
MW465.49 g/mol
LogP2.29
Rot. Bonds8

About 4-(1,3-dioxoisoindol-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 1305986) has the molecular formula C22H19N5O5S and a molecular weight of 465.49 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
PubChem CID1305986
Molecular FormulaC22H19N5O5S
Molecular Weight465.49 g/mol
Exact Mass465.11
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C22H19N5O5S/c28-19(7-3-14-27-20(29)17-5-1-2-6-18(17)21(27)30)25-15-8-10-16(11-9-15)33(31,32)26-22-23-12-4-13-24-22/h1-2,4-6,8-13H,3,7,14H2,(H,25,28)(H,23,24,26)
InChIKeyJDDRWWQEQNMSDS-UHFFFAOYSA-N
XLogP2.29
TPSA138.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide (CID 1305986) is 4-(1,3-dioxoisoindol-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is JDDRWWQEQNMSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5S/c28-19(7-3-14-27-20(29)17-5-1-2-6-18(17)21(27)30)25-15-8-10-16(11-9-15)33(31,32)26-22-23-12-4-13-24-22/h1-2,4-6,8-13H,3,7,14H2,(H,25,28)(H,23,24,26).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 465.49 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 1305986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).