2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C18H17N3O5S — CID 1147802

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H17N3O5S/c19-27(25,26)13-7-5-12(6-8-13)9-10-20-16(22)11-21-17(23)14-3-1-2-4-15(14)18(21)24/h1-8H,9-11H2,(H,20,22)(H2,19,25,26)
InChIKeyRVBIHRGXDKNPKO-UHFFFAOYSA-N
MW387.42 g/mol
LogP0.29
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 1147802) 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-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID1147802
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H17N3O5S/c19-27(25,26)13-7-5-12(6-8-13)9-10-20-16(22)11-21-17(23)14-3-1-2-4-15(14)18(21)24/h1-8H,9-11H2,(H,20,22)(H2,19,25,26)
InChIKeyRVBIHRGXDKNPKO-UHFFFAOYSA-N
XLogP0.29
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 50.29
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

1,2-Benzisothiazol-3(2H)-one, 2-(2-oxo-3-piperidinyl)-, 1,1-dioxide
CID 39528
4-[(1,3-Dioxoisoindol-2-yl)methyl]benzenesulfonamide
CID 323350
4-sulfamoyl-N-(2-(4-sulfamoylphenyl)ethyl)benzamide
CID 10385283
4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134817795
4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 145952794
4-[(5-Methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
CID 71602412
N-[(4-methylphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 900655
2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 973483
N-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 2094211
N-cyclohexyl-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-methylacetamide
CID 2105157
N-cycloheptyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 936708
N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 738683

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 1147802) is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is RVBIHRGXDKNPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c19-27(25,26)13-7-5-12(6-8-13)9-10-20-16(22)11-21-17(23)14-3-1-2-4-15(14)18(21)24/h1-8H,9-11H2,(H,20,22)(H2,19,25,26).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 387.42 g/mol, XLogP of 0.29, 6 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-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 1147802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).