4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide

C24H22N2O4S — CID 47021814

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCOCCN(Cc1cccs1)C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H22N2O4S/c1-30-13-12-25(16-19-5-4-14-31-19)22(27)18-10-8-17(9-11-18)15-26-23(28)20-6-2-3-7-21(20)24(26)29/h2-11,14H,12-13,15-16H2,1H3
InChIKeyTWTHFYIPGJKFIH-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.83
Rot. Bonds8

About 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 47021814) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID47021814
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCOCCN(Cc1cccs1)C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H22N2O4S/c1-30-13-12-25(16-19-5-4-14-31-19)22(27)18-10-8-17(9-11-18)15-26-23(28)20-6-2-3-7-21(20)24(26)29/h2-11,14H,12-13,15-16H2,1H3
InChIKeyTWTHFYIPGJKFIH-UHFFFAOYSA-N
XLogP3.83
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60940281
2-benzyl-N-ethyl-1,3-dioxo-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
CID 46430983
4-(2-amino-2-oxoethoxy)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 50983664
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide
CID 5021949
3-(1,3-dioxoisoindol-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 46401942
3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460854
methyl 3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-(2-methylpropyl)amino]propanoate
CID 55891926
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 3459642
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,4-dichloro-N-(2-methoxyethyl)benzamide
CID 5123810
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256
4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 17438424
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-tert-butyl-N-(3-methoxypropyl)benzamide
CID 4988651

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide (CID 47021814) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide is COCCN(Cc1cccs1)C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is TWTHFYIPGJKFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-30-13-12-25(16-19-5-4-14-31-19)22(27)18-10-8-17(9-11-18)15-26-23(28)20-6-2-3-7-21(20)24(26)29/h2-11,14H,12-13,15-16H2,1H3.
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 434.52 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 47021814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).