4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide

C18H16N2O5S — CID 7579477

IUPAC4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1
InChIInChI=1S/C18H16N2O5S/c1-3-26(24,25)12-9-7-11(8-10-12)16(21)19-14-6-4-5-13-15(14)18(23)20(2)17(13)22/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeyLFSBOPFMDOSIBQ-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.96
Rot. Bonds4

About 4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide

4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide (PubChem CID 7579477) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide
PubChem CID7579477
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1
InChIInChI=1S/C18H16N2O5S/c1-3-26(24,25)12-9-7-11(8-10-12)16(21)19-14-6-4-5-13-15(14)18(23)20(2)17(13)22/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeyLFSBOPFMDOSIBQ-UHFFFAOYSA-N
XLogP1.96
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.96
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

1-[2-(phenylsulfonyl)ethyl]-1H-indole-2,3-dione
CID 8056910
3-(phenylthio)-N-[2-(1-pyrrolidinylcarbonyl)phenyl]propanamide
CID 1309387
N-(2,3-dimethylphenyl)-3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)propanamide
CID 1534393
3-(1,3-dioxo-5-{[(phenylthio)acetyl]amino}-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
CID 2221901
4-Amino-2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]isoindole-1,3-dione
CID 2366561
N-(1,3-dioxoisoindol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2369118
4-Amino-2-(3-pyrrolidin-1-ylsulfonylbenzoyl)isoindole-1,3-dione
CID 2435761
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}propanamide
CID 2937288
N-(2-methyl-1,3-dioxoisoindolin-4-yl)cyclohexanecarboxamide
CID 3604482
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylacetamide
CID 4609055
3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide
CID 7189654
3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 7189656

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide?
The IUPAC name of 4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide (CID 7579477) is 4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide.
What is the SMILES notation for 4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide?
The canonical SMILES for 4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide is CCS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide?
The InChIKey is LFSBOPFMDOSIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-3-26(24,25)12-9-7-11(8-10-12)16(21)19-14-6-4-5-13-15(14)18(23)20(2)17(13)22/h4-10H,3H2,1-2H3,(H,19,21).
What are the key properties of 4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide?
4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide has a molecular weight of 372.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide is sourced from PubChem (CID 7579477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).