5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide

C24H22N2O4S — CID 27770108

IUPAC5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCc1cccs1
InChIInChI=1S/C24H22N2O4S/c1-2-30-21-10-9-16(14-20(21)22(27)25-12-11-17-6-5-13-31-17)15-26-23(28)18-7-3-4-8-19(18)24(26)29/h3-10,13-14H,2,11-12,15H2,1H3,(H,25,27)
InChIKeyURRMBBYXJMOFOS-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.92
Rot. Bonds8

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 27770108) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID27770108
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCc1cccs1
InChIInChI=1S/C24H22N2O4S/c1-2-30-21-10-9-16(14-20(21)22(27)25-12-11-17-6-5-13-31-17)15-26-23(28)18-7-3-4-8-19(18)24(26)29/h3-10,13-14H,2,11-12,15H2,1H3,(H,25,27)
InChIKeyURRMBBYXJMOFOS-UHFFFAOYSA-N
XLogP3.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.92
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

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide
CID 26253288
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 71850059
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 9224613
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]benzamide
CID 55659737
N-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide
CID 7927858
N-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide
CID 2533311
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39513518
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide
CID 55341064
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 55722025
[2-(3-methylbutylamino)-2-oxoethyl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoate
CID 2691586
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-(4-methylphenyl)benzamide
CID 60621841
5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide
CID 46475624

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide (CID 27770108) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide is CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCc1cccs1.
What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is URRMBBYXJMOFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-2-30-21-10-9-16(14-20(21)22(27)25-12-11-17-6-5-13-31-17)15-26-23(28)18-7-3-4-8-19(18)24(26)29/h3-10,13-14H,2,11-12,15H2,1H3,(H,25,27).
What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide?
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 434.52 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 27770108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).