[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate

C16H10ClNO5S — CID 7804628

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESO=C(CN1C(=O)C(=O)c2ccccc21)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H10ClNO5S/c17-13-6-5-12(24-13)11(19)8-23-14(20)7-18-10-4-2-1-3-9(10)15(21)16(18)22/h1-6H,7-8H2
InChIKeyWGOQVKXMGJVHIP-UHFFFAOYSA-N
MW363.78 g/mol
LogP2.36
Rot. Bonds5

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate (PubChem CID 7804628) has the molecular formula C16H10ClNO5S and a molecular weight of 363.78 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
PubChem CID7804628
Molecular FormulaC16H10ClNO5S
Molecular Weight363.78 g/mol
Exact Mass363.00
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESO=C(CN1C(=O)C(=O)c2ccccc21)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H10ClNO5S/c17-13-6-5-12(24-13)11(19)8-23-14(20)7-18-10-4-2-1-3-9(10)15(21)16(18)22/h1-6H,7-8H2
InChIKeyWGOQVKXMGJVHIP-UHFFFAOYSA-N
XLogP2.36
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate (CID 7804628) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate is O=C(CN1C(=O)C(=O)c2ccccc21)OCC(=O)c1ccc(Cl)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The InChIKey is WGOQVKXMGJVHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO5S/c17-13-6-5-12(24-13)11(19)8-23-14(20)7-18-10-4-2-1-3-9(10)15(21)16(18)22/h1-6H,7-8H2.
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate has a molecular weight of 363.78 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate is sourced from PubChem (CID 7804628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).