2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

C19H18N2O2S — CID 86915725

IUPAC2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)CN1C(=C)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O2S/c1-3-10-20(12-15-7-6-11-24-15)18(22)13-21-14(2)16-8-4-5-9-17(16)19(21)23/h3-9,11H,1-2,10,12-13H2
InChIKeyGETLIFSESRTNAZ-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.39
Rot. Bonds6

About 2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 86915725) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID86915725
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)CN1C(=C)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O2S/c1-3-10-20(12-15-7-6-11-24-15)18(22)13-21-14(2)16-8-4-5-9-17(16)19(21)23/h3-9,11H,1-2,10,12-13H2
InChIKeyGETLIFSESRTNAZ-UHFFFAOYSA-N
XLogP3.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
CID 55377058
3-(1,3-dioxoisoindol-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 46401942
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide
CID 84558909
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43028497
2-(2-aminophenyl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43248896
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 8521709
2-[(3R)-3-methylpiperazin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 104975631
2-[(3S)-3-methylpiperazin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 104977075
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 115873504
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733447
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78942109
2-(2-methylpiperazin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 62674229

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (CID 86915725) is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is C=CCN(Cc1cccs1)C(=O)CN1C(=C)c2ccccc2C1=O.
What is the InChIKey of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GETLIFSESRTNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-3-10-20(12-15-7-6-11-24-15)18(22)13-21-14(2)16-8-4-5-9-17(16)19(21)23/h3-9,11H,1-2,10,12-13H2.
What are the key properties of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 338.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 86915725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).