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

C14H19BrN2OS — CID 79344222

IUPAC5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(SCC(C)C)c(Br)cc21
InChIInChI=1S/C14H19BrN2OS/c1-4-16-13-9-5-10(15)12(19-7-8(2)3)6-11(9)17-14(13)18/h5-6,8,13,16H,4,7H2,1-3H3,(H,17,18)
InChIKeyACVNIHVVXZWAJI-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.80
Rot. Bonds5

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

5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 79344222) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is 5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID79344222
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC Name5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(SCC(C)C)c(Br)cc21
InChIInChI=1S/C14H19BrN2OS/c1-4-16-13-9-5-10(15)12(19-7-8(2)3)6-11(9)17-14(13)18/h5-6,8,13,16H,4,7H2,1-3H3,(H,17,18)
InChIKeyACVNIHVVXZWAJI-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one (CID 79344222) is 5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(SCC(C)C)c(Br)cc21.
What is the InChIKey of 5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is ACVNIHVVXZWAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c1-4-16-13-9-5-10(15)12(19-7-8(2)3)6-11(9)17-14(13)18/h5-6,8,13,16H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one?
5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 343.29 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).