[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate

C19H19NO4S — CID 42922144

IUPAC[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate
SMILESCC(=O)N1CCc2cc(C(=O)C(C)OC(=O)Cc3ccsc3)ccc21
InChIInChI=1S/C19H19NO4S/c1-12(24-18(22)9-14-6-8-25-11-14)19(23)16-3-4-17-15(10-16)5-7-20(17)13(2)21/h3-4,6,8,10-12H,5,7,9H2,1-2H3
InChIKeyJBURLGHNUKPDOM-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.01
Rot. Bonds5

About [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate

[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate (PubChem CID 42922144) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate
PubChem CID42922144
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate
SMILESCC(=O)N1CCc2cc(C(=O)C(C)OC(=O)Cc3ccsc3)ccc21
InChIInChI=1S/C19H19NO4S/c1-12(24-18(22)9-14-6-8-25-11-14)19(23)16-3-4-17-15(10-16)5-7-20(17)13(2)21/h3-4,6,8,10-12H,5,7,9H2,1-2H3
InChIKeyJBURLGHNUKPDOM-UHFFFAOYSA-N
XLogP3.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate?
The IUPAC name of [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate (CID 42922144) is [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate?
The canonical SMILES for [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate is CC(=O)N1CCc2cc(C(=O)C(C)OC(=O)Cc3ccsc3)ccc21.
What is the InChIKey of [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate?
The InChIKey is JBURLGHNUKPDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-12(24-18(22)9-14-6-8-25-11-14)19(23)16-3-4-17-15(10-16)5-7-20(17)13(2)21/h3-4,6,8,10-12H,5,7,9H2,1-2H3.
What are the key properties of [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate?
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate has a molecular weight of 357.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 42922144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).