3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide

C18H16N2O5S — CID 7189656

IUPAC3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCN1C(=O)c2ccc(NC(=O)CCS(=O)(=O)c3ccccc3)cc2C1=O
InChIInChI=1S/C18H16N2O5S/c1-20-17(22)14-8-7-12(11-15(14)18(20)23)19-16(21)9-10-26(24,25)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyJUZLIWDPFXWGPN-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.71
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide

3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide (PubChem CID 7189656) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
PubChem CID7189656
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCN1C(=O)c2ccc(NC(=O)CCS(=O)(=O)c3ccccc3)cc2C1=O
InChIInChI=1S/C18H16N2O5S/c1-20-17(22)14-8-7-12(11-15(14)18(20)23)19-16(21)9-10-26(24,25)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyJUZLIWDPFXWGPN-UHFFFAOYSA-N
XLogP1.71
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide (CID 7189656) is 3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide is CN1C(=O)c2ccc(NC(=O)CCS(=O)(=O)c3ccccc3)cc2C1=O.
What is the InChIKey of 3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The InChIKey is JUZLIWDPFXWGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-20-17(22)14-8-7-12(11-15(14)18(20)23)19-16(21)9-10-26(24,25)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,21).
What are the key properties of 3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide has a molecular weight of 372.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide is sourced from PubChem (CID 7189656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).