5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one

C14H10BrNO2S — CID 79981848

IUPAC5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
SMILESCc1cc(C(=O)c2ccc3c(c2)CC(=O)N3)sc1Br
InChIInChI=1S/C14H10BrNO2S/c1-7-4-11(19-14(7)15)13(18)8-2-3-10-9(5-8)6-12(17)16-10/h2-5H,6H2,1H3,(H,16,17)
InChIKeyHVTVVWJMPAIZPC-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.54
Rot. Bonds2

About 5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one

5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 79981848) has the molecular formula C14H10BrNO2S and a molecular weight of 336.21 g/mol. Its IUPAC name is 5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
PubChem CID79981848
Molecular FormulaC14H10BrNO2S
Molecular Weight336.21 g/mol
Exact Mass334.96
IUPAC Name5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
SMILESCc1cc(C(=O)c2ccc3c(c2)CC(=O)N3)sc1Br
InChIInChI=1S/C14H10BrNO2S/c1-7-4-11(19-14(7)15)13(18)8-2-3-10-9(5-8)6-12(17)16-10/h2-5H,6H2,1H3,(H,16,17)
InChIKeyHVTVVWJMPAIZPC-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 79981558
5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43629644
5-(3-bromo-5-methylbenzoyl)-1,3-dihydroindol-2-one
CID 104850942
5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 43462953
5-(2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43160618
5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one
CID 43160594
5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43338590
5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one
CID 43338587
(5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79981125
5-(3,5-difluorobenzoyl)-1,3-dihydroindol-2-one
CID 43338600
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one (CID 79981848) is 5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one is Cc1cc(C(=O)c2ccc3c(c2)CC(=O)N3)sc1Br.
What is the InChIKey of 5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is HVTVVWJMPAIZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2S/c1-7-4-11(19-14(7)15)13(18)8-2-3-10-9(5-8)6-12(17)16-10/h2-5H,6H2,1H3,(H,16,17).
What are the key properties of 5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one?
5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 336.21 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79981848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).