5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one

C14H13BrN2OS — CID 43195154

IUPAC5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1NCCc1cccs1
InChIInChI=1S/C14H13BrN2OS/c15-9-3-4-12-11(8-9)13(14(18)17-12)16-6-5-10-2-1-7-19-10/h1-4,7-8,13,16H,5-6H2,(H,17,18)
InChIKeyHYJPYEUOVRHSII-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.34
Rot. Bonds4

About 5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one

5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one (PubChem CID 43195154) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is 5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one
PubChem CID43195154
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1NCCc1cccs1
InChIInChI=1S/C14H13BrN2OS/c15-9-3-4-12-11(8-9)13(14(18)17-12)16-6-5-10-2-1-7-19-10/h1-4,7-8,13,16H,5-6H2,(H,17,18)
InChIKeyHYJPYEUOVRHSII-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one (CID 43195154) is 5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one is O=C1Nc2ccc(Br)cc2C1NCCc1cccs1.
What is the InChIKey of 5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one?
The InChIKey is HYJPYEUOVRHSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c15-9-3-4-12-11(8-9)13(14(18)17-12)16-6-5-10-2-1-7-19-10/h1-4,7-8,13,16H,5-6H2,(H,17,18).
What are the key properties of 5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one?
5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one has a molecular weight of 337.24 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43195154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).