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

C13H11BrN2OS — CID 43204711

IUPAC5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1NCc1cccs1
InChIInChI=1S/C13H11BrN2OS/c14-8-3-4-11-10(6-8)12(13(17)16-11)15-7-9-2-1-5-18-9/h1-6,12,15H,7H2,(H,16,17)
InChIKeyBLYDSNHYCDQYDN-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.29
Rot. Bonds3

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

5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one (PubChem CID 43204711) has the molecular formula C13H11BrN2OS and a molecular weight of 323.22 g/mol. Its IUPAC name is 5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one
PubChem CID43204711
Molecular FormulaC13H11BrN2OS
Molecular Weight323.22 g/mol
Exact Mass321.98
IUPAC Name5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1NCc1cccs1
InChIInChI=1S/C13H11BrN2OS/c14-8-3-4-11-10(6-8)12(13(17)16-11)15-7-9-2-1-5-18-9/h1-6,12,15H,7H2,(H,16,17)
InChIKeyBLYDSNHYCDQYDN-UHFFFAOYSA-N
XLogP3.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one
CID 43195154
5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one
CID 43189550
5-bromo-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 66525133
5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43692702
5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43190207
6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769329
5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
CID 43203362
5-bromo-3-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43196127
5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one
CID 43189941
5-bromo-3-(3-ethenoxypropylamino)-1,3-dihydroindol-2-one
CID 43207251
5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43673277
5-bromo-3-(1-methoxypropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43191810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one (CID 43204711) is 5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one is O=C1Nc2ccc(Br)cc2C1NCc1cccs1.
What is the InChIKey of 5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one?
The InChIKey is BLYDSNHYCDQYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2OS/c14-8-3-4-11-10(6-8)12(13(17)16-11)15-7-9-2-1-5-18-9/h1-6,12,15H,7H2,(H,16,17).
What are the key properties of 5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one?
5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one has a molecular weight of 323.22 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43204711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).