2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide

C18H17N3O5S — CID 110601301

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C18H17N3O5S/c22-16(12-21-17(23)14-8-4-5-9-15(14)18(21)24)19-10-11-27(25,26)20-13-6-2-1-3-7-13/h1-9,20H,10-12H2,(H,19,22)
InChIKeyPCDJHFZUZKGQPT-UHFFFAOYSA-N
MW387.42 g/mol
LogP0.84
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide (PubChem CID 110601301) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide
PubChem CID110601301
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C18H17N3O5S/c22-16(12-21-17(23)14-8-4-5-9-15(14)18(21)24)19-10-11-27(25,26)20-13-6-2-1-3-7-13/h1-9,20H,10-12H2,(H,19,22)
InChIKeyPCDJHFZUZKGQPT-UHFFFAOYSA-N
XLogP0.84
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
N-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 55795473
2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502774
2-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetyl]amino]acetic acid
CID 3022943
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-2-methylpropanoic acid
CID 53215786
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide
CID 617178
2-(1,3-dioxoisoindol-2-yl)-N-(4-iodophenyl)ethanesulfonamide
CID 45379603
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 41288066
4-(1,3-dioxoisoindol-2-yl)-3-oxo-N-phenylbutanamide
CID 154148523

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide (CID 110601301) is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCCS(=O)(=O)Nc1ccccc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide?
The InChIKey is PCDJHFZUZKGQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c22-16(12-21-17(23)14-8-4-5-9-15(14)18(21)24)19-10-11-27(25,26)20-13-6-2-1-3-7-13/h1-9,20H,10-12H2,(H,19,22).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide has a molecular weight of 387.42 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide is sourced from PubChem (CID 110601301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).