(5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone

C16H14BrNOS — CID 116546989

IUPAC(5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3cc(C)c(Br)s3)cn(C)c2c1
InChIInChI=1S/C16H14BrNOS/c1-9-4-5-11-12(8-18(3)13(11)6-9)15(19)14-7-10(2)16(17)20-14/h4-8H,1-3H3
InChIKeySHXAFCWEQNMVSO-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.85
Rot. Bonds2

About (5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone

(5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone (PubChem CID 116546989) has the molecular formula C16H14BrNOS and a molecular weight of 348.27 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone
PubChem CID116546989
Molecular FormulaC16H14BrNOS
Molecular Weight348.27 g/mol
Exact Mass347.00
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3cc(C)c(Br)s3)cn(C)c2c1
InChIInChI=1S/C16H14BrNOS/c1-9-4-5-11-12(8-18(3)13(11)6-9)15(19)14-7-10(2)16(17)20-14/h4-8H,1-3H3
InChIKeySHXAFCWEQNMVSO-UHFFFAOYSA-N
XLogP4.85
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone (CID 116546989) is (5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone is Cc1ccc2c(C(=O)c3cc(C)c(Br)s3)cn(C)c2c1.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone?
The InChIKey is SHXAFCWEQNMVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNOS/c1-9-4-5-11-12(8-18(3)13(11)6-9)15(19)14-7-10(2)16(17)20-14/h4-8H,1-3H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone?
(5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone has a molecular weight of 348.27 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone is sourced from PubChem (CID 116546989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).