5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide

C24H22N2O4S — CID 46475624

IUPAC5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide
SMILESCCc1ccc(CNC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)s1
InChIInChI=1S/C24H22N2O4S/c1-3-16-9-10-17(31-16)13-25-22(27)20-12-15(8-11-21(20)30-2)14-26-23(28)18-6-4-5-7-19(18)24(26)29/h4-12H,3,13-14H2,1-2H3,(H,25,27)
InChIKeyMMLHBQFBFMTUIA-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.05
Rot. Bonds7

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide

5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide (PubChem CID 46475624) 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]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide
PubChem CID46475624
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide
SMILESCCc1ccc(CNC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)s1
InChIInChI=1S/C24H22N2O4S/c1-3-16-9-10-17(31-16)13-25-22(27)20-12-15(8-11-21(20)30-2)14-26-23(28)18-6-4-5-7-19(18)24(26)29/h4-12H,3,13-14H2,1-2H3,(H,25,27)
InChIKeyMMLHBQFBFMTUIA-UHFFFAOYSA-N
XLogP4.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.05
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-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916782
N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 7945607
5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 9314148
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]benzamide
CID 55659737
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 55722025
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55814705
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide
CID 41365655
N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 8743510
2-methoxyethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 46541751
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-pyridin-2-ylbenzamide
CID 35034064
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 3986774
N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 18229091

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide?
The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide (CID 46475624) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide is CCc1ccc(CNC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)s1.
What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide?
The InChIKey is MMLHBQFBFMTUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-3-16-9-10-17(31-16)13-25-22(27)20-12-15(8-11-21(20)30-2)14-26-23(28)18-6-4-5-7-19(18)24(26)29/h4-12H,3,13-14H2,1-2H3,(H,25,27).
What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide?
5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide has a molecular weight of 434.52 g/mol, XLogP of 4.05, 7 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]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 46475624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).