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

C14H13ClN2OS — CID 43206055

IUPAC5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one
SMILESCC(NC1C(=O)Nc2ccc(Cl)cc21)c1cccs1
InChIInChI=1S/C14H13ClN2OS/c1-8(12-3-2-6-19-12)16-13-10-7-9(15)4-5-11(10)17-14(13)18/h2-8,13,16H,1H3,(H,17,18)
InChIKeyUJAXBHOUTYZULG-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.75
Rot. Bonds3

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

5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one (PubChem CID 43206055) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one
PubChem CID43206055
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one
SMILESCC(NC1C(=O)Nc2ccc(Cl)cc21)c1cccs1
InChIInChI=1S/C14H13ClN2OS/c1-8(12-3-2-6-19-12)16-13-10-7-9(15)4-5-11(10)17-14(13)18/h2-8,13,16H,1H3,(H,17,18)
InChIKeyUJAXBHOUTYZULG-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43098124
3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one
CID 43108405
5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43692702
5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43094852
(3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
CID 26367680
6-chloro-2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine
CID 83067481
5-chloro-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43097456
3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one
CID 43687791
5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43673277
methyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate
CID 43190830
3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43126586
5-chloro-3-(3-methoxyanilino)-1,3-dihydroindol-2-one
CID 43196411

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one (CID 43206055) is 5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one is CC(NC1C(=O)Nc2ccc(Cl)cc21)c1cccs1.
What is the InChIKey of 5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one?
The InChIKey is UJAXBHOUTYZULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-8(12-3-2-6-19-12)16-13-10-7-9(15)4-5-11(10)17-14(13)18/h2-8,13,16H,1H3,(H,17,18).
What are the key properties of 5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one?
5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one has a molecular weight of 292.79 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43206055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).