1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide

C26H19N3O3S — CID 108769722

IUPAC1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O
InChIInChI=1S/C26H19N3O3S/c30-23(28-26-27-22(16-33-26)18-9-5-2-6-10-18)19-11-12-20-21(15-19)25(32)29(24(20)31)14-13-17-7-3-1-4-8-17/h1-12,15-16H,13-14H2,(H,27,28,30)
InChIKeyLNUYULFHIXNZJE-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.90
Rot. Bonds6

About 1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide

1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide (PubChem CID 108769722) has the molecular formula C26H19N3O3S and a molecular weight of 453.52 g/mol. Its IUPAC name is 1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide
PubChem CID108769722
Molecular FormulaC26H19N3O3S
Molecular Weight453.52 g/mol
Exact Mass453.11
IUPAC Name1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O
InChIInChI=1S/C26H19N3O3S/c30-23(28-26-27-22(16-33-26)18-9-5-2-6-10-18)19-11-12-20-21(15-19)25(32)29(24(20)31)14-13-17-7-3-1-4-8-17/h1-12,15-16H,13-14H2,(H,27,28,30)
InChIKeyLNUYULFHIXNZJE-UHFFFAOYSA-N
XLogP4.90
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.90
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

2-(3-methoxypropyl)-1,3-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 17496752
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 16557483
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 17493085
9-oxo-N-(4-phenyl-1,3-thiazol-2-yl)fluorene-2-carboxamide
CID 16613201
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 17499132
2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide
CID 26066325
N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 27648770
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 55866187
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-(3-methyl-2-pyridinyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 35032203
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55341353
1,3-dioxo-2-prop-2-enyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]isoindole-5-carboxamide
CID 16550442

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide?
The IUPAC name of 1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide (CID 108769722) is 1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide.
What is the SMILES notation for 1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide?
The canonical SMILES for 1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O.
What is the InChIKey of 1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide?
The InChIKey is LNUYULFHIXNZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O3S/c30-23(28-26-27-22(16-33-26)18-9-5-2-6-10-18)19-11-12-20-21(15-19)25(32)29(24(20)31)14-13-17-7-3-1-4-8-17/h1-12,15-16H,13-14H2,(H,27,28,30).
What are the key properties of 1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide?
1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide is sourced from PubChem (CID 108769722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).