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

C22H16N2O3S — CID 9402903

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1
InChIInChI=1S/C22H16N2O3S/c1-28-17-6-4-5-15(13-17)23-20(25)14-9-11-16(12-10-14)24-21(26)18-7-2-3-8-19(18)22(24)27/h2-13H,1H3,(H,23,25)
InChIKeyOQPXPHUTCDMZNJ-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.46
Rot. Bonds4

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

4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 9402903) has the molecular formula C22H16N2O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide
PubChem CID9402903
Molecular FormulaC22H16N2O3S
Molecular Weight388.45 g/mol
Exact Mass388.09
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1
InChIInChI=1S/C22H16N2O3S/c1-28-17-6-4-5-15(13-17)23-20(25)14-9-11-16(12-10-14)24-21(26)18-7-2-3-8-19(18)22(24)27/h2-13H,1H3,(H,23,25)
InChIKeyOQPXPHUTCDMZNJ-UHFFFAOYSA-N
XLogP4.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
CID 24536258
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 56507056
4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
2-benzyl-N-(3-methylsulfanylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9403087
N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9096856
methyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]benzoate
CID 998530
N-(3-iodophenyl)-2-[4-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3092324
N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
CID 8003067
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide
CID 56507674

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide (CID 9402903) is 4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is OQPXPHUTCDMZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3S/c1-28-17-6-4-5-15(13-17)23-20(25)14-9-11-16(12-10-14)24-21(26)18-7-2-3-8-19(18)22(24)27/h2-13H,1H3,(H,23,25).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide?
4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 388.45 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 9402903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).