N-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide

C23H20N2O3S — CID 26558416

IUPACN-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O
InChIInChI=1S/C23H20N2O3S/c1-24(15-18-8-5-13-29-18)21(26)17-9-10-19-20(14-17)23(28)25(22(19)27)12-11-16-6-3-2-4-7-16/h2-10,13-14H,11-12,15H2,1H3
InChIKeyPUFGVMUIFIGSKZ-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.86
Rot. Bonds6

About N-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide

N-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide (PubChem CID 26558416) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
PubChem CID26558416
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O
InChIInChI=1S/C23H20N2O3S/c1-24(15-18-8-5-13-29-18)21(26)17-9-10-19-20(14-17)23(28)25(22(19)27)12-11-16-6-3-2-4-7-16/h2-10,13-14H,11-12,15H2,1H3
InChIKeyPUFGVMUIFIGSKZ-UHFFFAOYSA-N
XLogP3.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-N-ethyl-1,3-dioxo-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
CID 46430983
N-[2-(dimethylamino)-2-oxoethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 26442861
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 26826321
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 31730192
propan-2-yl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate
CID 27000100
2-oxopropyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate
CID 2484796
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 55866187
N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 27648770
N-(3-hydroxypropyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 78795995
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733447
ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate
CID 71895374

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide?
The IUPAC name of N-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide (CID 26558416) is N-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide?
The canonical SMILES for N-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide is CN(Cc1cccs1)C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O.
What is the InChIKey of N-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide?
The InChIKey is PUFGVMUIFIGSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-24(15-18-8-5-13-29-18)21(26)17-9-10-19-20(14-17)23(28)25(22(19)27)12-11-16-6-3-2-4-7-16/h2-10,13-14H,11-12,15H2,1H3.
What are the key properties of N-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide?
N-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide is sourced from PubChem (CID 26558416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).