(3-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone

C15H12BrNO2S — CID 107360237

IUPAC(3-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone
SMILESCOc1cccc2c1c(C(=O)c1sccc1Br)cn2C
InChIInChI=1S/C15H12BrNO2S/c1-17-8-9(14(18)15-10(16)6-7-20-15)13-11(17)4-3-5-12(13)19-2/h3-8H,1-2H3
InChIKeyXBFXTUKDLACWLG-UHFFFAOYSA-N
MW350.24 g/mol
LogP4.24
Rot. Bonds3

About (3-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone

(3-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone (PubChem CID 107360237) has the molecular formula C15H12BrNO2S and a molecular weight of 350.24 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone
PubChem CID107360237
Molecular FormulaC15H12BrNO2S
Molecular Weight350.24 g/mol
Exact Mass348.98
IUPAC Name(3-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone
SMILESCOc1cccc2c1c(C(=O)c1sccc1Br)cn2C
InChIInChI=1S/C15H12BrNO2S/c1-17-8-9(14(18)15-10(16)6-7-20-15)13-11(17)4-3-5-12(13)19-2/h3-8H,1-2H3
InChIKeyXBFXTUKDLACWLG-UHFFFAOYSA-N
XLogP4.24
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone (CID 107360237) is (3-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone is COc1cccc2c1c(C(=O)c1sccc1Br)cn2C.
What is the InChIKey of (3-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone?
The InChIKey is XBFXTUKDLACWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2S/c1-17-8-9(14(18)15-10(16)6-7-20-15)13-11(17)4-3-5-12(13)19-2/h3-8H,1-2H3.
What are the key properties of (3-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone?
(3-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone has a molecular weight of 350.24 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone is sourced from PubChem (CID 107360237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).