2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

C20H16N4O5S2 — CID 2927050

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H16N4O5S2/c1-12(24-18(26)15-4-2-3-5-16(15)19(24)27)17(25)22-13-6-8-14(9-7-13)31(28,29)23-20-21-10-11-30-20/h2-12H,1H3,(H,21,23)(H,22,25)
InChIKeyJCTDAGZZJXJRLD-UHFFFAOYSA-N
MW456.51 g/mol
LogP2.57
Rot. Bonds6

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

2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 2927050) has the molecular formula C20H16N4O5S2 and a molecular weight of 456.51 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID2927050
Molecular FormulaC20H16N4O5S2
Molecular Weight456.51 g/mol
Exact Mass456.06
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H16N4O5S2/c1-12(24-18(26)15-4-2-3-5-16(15)19(24)27)17(25)22-13-6-8-14(9-7-13)31(28,29)23-20-21-10-11-30-20/h2-12H,1H3,(H,21,23)(H,22,25)
InChIKeyJCTDAGZZJXJRLD-UHFFFAOYSA-N
XLogP2.57
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.57
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 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 2927050) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is CC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is JCTDAGZZJXJRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O5S2/c1-12(24-18(26)15-4-2-3-5-16(15)19(24)27)17(25)22-13-6-8-14(9-7-13)31(28,29)23-20-21-10-11-30-20/h2-12H,1H3,(H,21,23)(H,22,25).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 456.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 2927050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).