2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide

C18H18N2O4S — CID 18121940

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCCN(Cc1cccs1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H18N2O4S/c1-24-9-8-19(11-13-5-4-10-25-13)16(21)12-20-17(22)14-6-2-3-7-15(14)18(20)23/h2-7,10H,8-9,11-12H2,1H3
InChIKeyMYRFMVRWLQOQLI-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.02
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 18121940) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID18121940
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCCN(Cc1cccs1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H18N2O4S/c1-24-9-8-19(11-13-5-4-10-25-13)16(21)12-20-17(22)14-6-2-3-7-15(14)18(20)23/h2-7,10H,8-9,11-12H2,1H3
InChIKeyMYRFMVRWLQOQLI-UHFFFAOYSA-N
XLogP2.02
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide (CID 18121940) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide is COCCN(Cc1cccs1)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MYRFMVRWLQOQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-24-9-8-19(11-13-5-4-10-25-13)16(21)12-20-17(22)14-6-2-3-7-15(14)18(20)23/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 18121940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).