N-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide

C17H14N2O4S — CID 168908039

IUPACN-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide
SMILESCN(C(=O)c1ccccc1S(C)=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14N2O4S/c1-18(15(20)13-9-5-6-10-14(13)24(2)23)19-16(21)11-7-3-4-8-12(11)17(19)22/h3-10H,1-2H3
InChIKeyHCEWYNVWNVMJLR-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.71
Rot. Bonds3

About N-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide

N-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide (PubChem CID 168908039) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide
PubChem CID168908039
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide
SMILESCN(C(=O)c1ccccc1S(C)=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14N2O4S/c1-18(15(20)13-9-5-6-10-14(13)24(2)23)19-16(21)11-7-3-4-8-12(11)17(19)22/h3-10H,1-2H3
InChIKeyHCEWYNVWNVMJLR-UHFFFAOYSA-N
XLogP1.71
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide (CID 168908039) is N-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide is CN(C(=O)c1ccccc1S(C)=O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide?
The InChIKey is HCEWYNVWNVMJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-18(15(20)13-9-5-6-10-14(13)24(2)23)19-16(21)11-7-3-4-8-12(11)17(19)22/h3-10H,1-2H3.
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide?
N-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide has a molecular weight of 342.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide is sourced from PubChem (CID 168908039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).