3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one

C14H13ClN2O2S — CID 79349392

IUPAC3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(OCCc3cccs3)c(Cl)cc21
InChIInChI=1S/C14H13ClN2O2S/c15-10-6-9-11(17-14(18)13(9)16)7-12(10)19-4-3-8-2-1-5-20-8/h1-2,5-7,13H,3-4,16H2,(H,17,18)
InChIKeyUEUBZNBYLBZEEG-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.97
Rot. Bonds4

About 3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one

3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one (PubChem CID 79349392) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one
PubChem CID79349392
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(OCCc3cccs3)c(Cl)cc21
InChIInChI=1S/C14H13ClN2O2S/c15-10-6-9-11(17-14(18)13(9)16)7-12(10)19-4-3-8-2-1-5-20-8/h1-2,5-7,13H,3-4,16H2,(H,17,18)
InChIKeyUEUBZNBYLBZEEG-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-Chloro-4-{2-[(thiophen-3-ylmethyl)-amino]-ethoxy}-1,3-dihydro-indol-2-one
CID 9840168
7-Chloro-4-{2-[(thiophen-2-ylmethyl)-amino]-ethoxy}-1,3-dihydro-indol-2-one
CID 10663658
5-Chloro-3-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one
CID 79335920
3-Amino-5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one
CID 79335987
5-Chloro-3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one
CID 79344325
3-Amino-5-chloro-6-(2,4-difluorophenoxy)-1,3-dihydroindol-2-one
CID 79344342
5-Chloro-6-(2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344349
5-Chloro-6-(4-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344358
5-Chloro-6-(3-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344365
3-Amino-5-chloro-6-(3,4-difluorophenoxy)-1,3-dihydroindol-2-one
CID 79344531
3-Amino-5-chloro-6-(2-chloro-4-fluorophenoxy)-1,3-dihydroindol-2-one
CID 79344534
3-Amino-5-chloro-6-(3,5-difluorophenoxy)-1,3-dihydroindol-2-one
CID 79344554

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one (CID 79349392) is 3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(OCCc3cccs3)c(Cl)cc21.
What is the InChIKey of 3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one?
The InChIKey is UEUBZNBYLBZEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-10-6-9-11(17-14(18)13(9)16)7-12(10)19-4-3-8-2-1-5-20-8/h1-2,5-7,13H,3-4,16H2,(H,17,18).
What are the key properties of 3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one has a molecular weight of 308.79 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).