[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate

C19H18N2O5S — CID 46788851

IUPAC[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(C(=O)OCC(=O)N(C)Cc1cccs1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O5S/c1-12(21-17(23)14-7-3-4-8-15(14)18(21)24)19(25)26-11-16(22)20(2)10-13-6-5-9-27-13/h3-9,12H,10-11H2,1-2H3
InChIKeyZNYSHIGSROKWPD-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.93
Rot. Bonds6

About [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 46788851) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID46788851
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(C(=O)OCC(=O)N(C)Cc1cccs1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O5S/c1-12(21-17(23)14-7-3-4-8-15(14)18(21)24)19(25)26-11-16(22)20(2)10-13-6-5-9-27-13/h3-9,12H,10-11H2,1-2H3
InChIKeyZNYSHIGSROKWPD-UHFFFAOYSA-N
XLogP1.93
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597192
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate
CID 55324923
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 31730192
2-oxopropyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 42970136
(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
CID 104876158
[2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926796
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate
CID 46610396
phenacyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 695300
2-(2-methoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78762295
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46822072
[2-oxo-2-(N-prop-2-enylanilino)ethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8569937

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate (CID 46788851) is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate is CC(C(=O)OCC(=O)N(C)Cc1cccs1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is ZNYSHIGSROKWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-12(21-17(23)14-7-3-4-8-15(14)18(21)24)19(25)26-11-16(22)20(2)10-13-6-5-9-27-13/h3-9,12H,10-11H2,1-2H3.
What are the key properties of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 386.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 46788851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).