2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate

C17H14N2O5S — CID 7808070

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1cccs1)OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14N2O5S/c20-14(10-18-15(21)13-6-3-9-25-13)24-8-7-19-16(22)11-4-1-2-5-12(11)17(19)23/h1-6,9H,7-8,10H2,(H,18,21)
InChIKeyZYDALVOFYBEQGX-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.32
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate

2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate (PubChem CID 7808070) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate
PubChem CID7808070
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1cccs1)OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14N2O5S/c20-14(10-18-15(21)13-6-3-9-25-13)24-8-7-19-16(22)11-4-1-2-5-12(11)17(19)23/h1-6,9H,7-8,10H2,(H,18,21)
InChIKeyZYDALVOFYBEQGX-UHFFFAOYSA-N
XLogP1.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1,3-dioxoisoindol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate
CID 42972045
2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate
CID 8662263
2-(1,3-dioxoisoindol-2-yl)ethyl 4-[(thiophene-2-carbonylamino)methyl]benzoate
CID 55756537
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 2548047
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755481
2-(1,3-dioxoisoindol-2-yl)ethyl 3,3-dimethylbutanoate
CID 52887662
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3336196
4-(1,3-dioxoisoindol-2-yl)butyl 2-(thiophene-2-carbonyl)benzoate
CID 46811990
2-(2-oxo-2-thiophen-2-ylethyl)isoindole-1,3-dione
CID 7960051
2-(1,3-dioxoisoindol-2-yl)ethyl (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 7532410
naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate
CID 926068
N-[3-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]phenyl]thiophene-2-carboxamide
CID 19318838

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate (CID 7808070) is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate is O=C(CNC(=O)c1cccs1)OCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is ZYDALVOFYBEQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c20-14(10-18-15(21)13-6-3-9-25-13)24-8-7-19-16(22)11-4-1-2-5-12(11)17(19)23/h1-6,9H,7-8,10H2,(H,18,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate?
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 358.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 7808070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).