5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one

C14H19BrN2OS — CID 79343077

IUPAC5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(SC(C)(C)C)c(Br)cc21
InChIInChI=1S/C14H19BrN2OS/c1-5-16-12-8-6-9(15)11(19-14(2,3)4)7-10(8)17-13(12)18/h6-7,12,16H,5H2,1-4H3,(H,17,18)
InChIKeyBJBRWTMYWVPPES-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.94
Rot. Bonds3

About 5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one

5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one (PubChem CID 79343077) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is 5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one
PubChem CID79343077
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC Name5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(SC(C)(C)C)c(Br)cc21
InChIInChI=1S/C14H19BrN2OS/c1-5-16-12-8-6-9(15)11(19-14(2,3)4)7-10(8)17-13(12)18/h6-7,12,16H,5H2,1-4H3,(H,17,18)
InChIKeyBJBRWTMYWVPPES-UHFFFAOYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
CID 79344222
5-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one
CID 79378162
5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79336270
5-bromo-3-(ethylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one
CID 79342124
5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
CID 79344617
5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 79343711
3-(ethylamino)-5,6-difluoro-1,3-dihydroindol-2-one
CID 82235271
5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79342117
5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one
CID 79343706
6-butylsulfanyl-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79336338
5-bromo-3-(ethylamino)-6-[methyl(3-methylbutyl)amino]-1,3-dihydroindol-2-one
CID 79343258
5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one
CID 79344214

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one (CID 79343077) is 5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(SC(C)(C)C)c(Br)cc21.
What is the InChIKey of 5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one?
The InChIKey is BJBRWTMYWVPPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c1-5-16-12-8-6-9(15)11(19-14(2,3)4)7-10(8)17-13(12)18/h6-7,12,16H,5H2,1-4H3,(H,17,18).
What are the key properties of 5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one?
5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one has a molecular weight of 343.29 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79343077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).