2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]-N-methylacetamide

C11H11BrN2O3S — CID 114232131

IUPAC2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1cc2c(cc1Br)C(O)C(=O)N2
InChIInChI=1S/C11H11BrN2O3S/c1-13-9(15)4-18-8-3-7-5(2-6(8)12)10(16)11(17)14-7/h2-3,10,16H,4H2,1H3,(H,13,15)(H,14,17)
InChIKeyYGIJYGLACIQDRM-UHFFFAOYSA-N
MW331.19 g/mol
LogP1.27
Rot. Bonds3

About 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]-N-methylacetamide

2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]-N-methylacetamide (PubChem CID 114232131) has the molecular formula C11H11BrN2O3S and a molecular weight of 331.19 g/mol. Its IUPAC name is 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]-N-methylacetamide
PubChem CID114232131
Molecular FormulaC11H11BrN2O3S
Molecular Weight331.19 g/mol
Exact Mass329.97
IUPAC Name2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1cc2c(cc1Br)C(O)C(=O)N2
InChIInChI=1S/C11H11BrN2O3S/c1-13-9(15)4-18-8-3-7-5(2-6(8)12)10(16)11(17)14-7/h2-3,10,16H,4H2,1H3,(H,13,15)(H,14,17)
InChIKeyYGIJYGLACIQDRM-UHFFFAOYSA-N
XLogP1.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]-N-methylacetamide?
The IUPAC name of 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]-N-methylacetamide (CID 114232131) is 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]-N-methylacetamide is CNC(=O)CSc1cc2c(cc1Br)C(O)C(=O)N2.
What is the InChIKey of 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]-N-methylacetamide?
The InChIKey is YGIJYGLACIQDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3S/c1-13-9(15)4-18-8-3-7-5(2-6(8)12)10(16)11(17)14-7/h2-3,10,16H,4H2,1H3,(H,13,15)(H,14,17).
What are the key properties of 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]-N-methylacetamide?
2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]-N-methylacetamide has a molecular weight of 331.19 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]-N-methylacetamide is sourced from PubChem (CID 114232131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).