4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide

C24H16N4O3S — CID 55985027

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csnn2)cc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H16N4O3S/c29-22(25-18-11-9-16(10-12-18)21-14-32-27-26-21)17-7-5-15(6-8-17)13-28-23(30)19-3-1-2-4-20(19)24(28)31/h1-12,14H,13H2,(H,25,29)
InChIKeyUCEGVTAISYHISQ-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.25
Rot. Bonds5

About 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide (PubChem CID 55985027) has the molecular formula C24H16N4O3S and a molecular weight of 440.48 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
PubChem CID55985027
Molecular FormulaC24H16N4O3S
Molecular Weight440.48 g/mol
Exact Mass440.09
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csnn2)cc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H16N4O3S/c29-22(25-18-11-9-16(10-12-18)21-14-32-27-26-21)17-7-5-15(6-8-17)13-28-23(30)19-3-1-2-4-20(19)24(28)31/h1-12,14H,13H2,(H,25,29)
InChIKeyUCEGVTAISYHISQ-UHFFFAOYSA-N
XLogP4.25
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38329840
2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
CID 55984553
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylsulfanylphenyl)benzamide
CID 33012346
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361609
4-(methylsulfamoyl)-N-[4-(thiadiazol-4-yl)phenyl]benzamide
CID 55984008
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 47739579
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 2994520
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide
CID 135358086
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60519196
2-[(4-methoxyphenyl)methyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 108751315

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide (CID 55985027) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide is O=C(Nc1ccc(-c2csnn2)cc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide?
The InChIKey is UCEGVTAISYHISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O3S/c29-22(25-18-11-9-16(10-12-18)21-14-32-27-26-21)17-7-5-15(6-8-17)13-28-23(30)19-3-1-2-4-20(19)24(28)31/h1-12,14H,13H2,(H,25,29).
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide has a molecular weight of 440.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 55985027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).