2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide

C17H16N2O3S — CID 110733447

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCN(CCc1cccs1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H16N2O3S/c1-18(9-8-12-5-4-10-23-12)15(20)11-19-16(21)13-6-2-3-7-14(13)17(19)22/h2-7,10H,8-9,11H2,1H3
InChIKeyNLLUYHLUFZOGHO-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.05
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 110733447) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID110733447
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCN(CCc1cccs1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H16N2O3S/c1-18(9-8-12-5-4-10-23-12)15(20)11-19-16(21)13-6-2-3-7-14(13)17(19)22/h2-7,10H,8-9,11H2,1H3
InChIKeyNLLUYHLUFZOGHO-UHFFFAOYSA-N
XLogP2.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.05
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-(5-amino-2-oxo-1-pyridinyl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79476028
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4820736
2-amino-N-methyl-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79494111
3-(1,3-dioxoisoindol-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 46401942
2-(10-thiophen-2-yldecyl)isoindole-1,3-dione
CID 22115174
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
methyl 4-[methyl(2-thiophen-2-ylethyl)amino]-4-oxobutanoate
CID 110733429
N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 119659914
2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid
CID 79476518
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506
2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 26292160

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide (CID 110733447) is 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide is CN(CCc1cccs1)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is NLLUYHLUFZOGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-18(9-8-12-5-4-10-23-12)15(20)11-19-16(21)13-6-2-3-7-14(13)17(19)22/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 328.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 110733447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).