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

Name: (5-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₂BrNO₂S — CID 107360114

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(5-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone

SMILESCOc1cccc2c1c(C(=O)c1ccc(Br)s1)cn2C

InChIInChI=1S/C15H12BrNO2S/c1-17-8-9(15(18)12-6-7-13(16)20-12)14-10(17)4-3-5-11(14)19-2/h3-8H,1-2H3

InChIKeyHNLJDRBNKSBTFP-UHFFFAOYSA-N

MW350.24 g/mol

LogP4.24

Rot. Bonds3

About (5-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone

(5-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone (PubChem CID 107360114) has the molecular formula C₁₅H₁₂BrNO₂S and a molecular weight of 350.24 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name	(5-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone
PubChem CID	107360114
Molecular Formula	C₁₅H₁₂BrNO₂S
Molecular Weight	350.24 g/mol
Exact Mass	348.98
IUPAC Name	(5-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone
SMILES	COc1cccc2c1c(C(=O)c1ccc(Br)s1)cn2C
InChI	InChI=1S/C15H12BrNO2S/c1-17-8-9(15(18)12-6-7-13(16)20-12)14-10(17)4-3-5-11(14)19-2/h3-8H,1-2H3
InChIKey	HNLJDRBNKSBTFP-UHFFFAOYSA-N
XLogP	4.24
TPSA	31.23 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.24
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone?

The IUPAC name of (5-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone (CID 107360114) is (5-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone.

What is the SMILES notation for (5-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone?

The canonical SMILES for (5-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone is COc1cccc2c1c(C(=O)c1ccc(Br)s1)cn2C.

What is the InChIKey of (5-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone?

The InChIKey is HNLJDRBNKSBTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2S/c1-17-8-9(15(18)12-6-7-13(16)20-12)14-10(17)4-3-5-11(14)19-2/h3-8H,1-2H3.

What are the key properties of (5-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone?

(5-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 (5-bromothiophen-2-yl)-(4-methoxy-1-methylindol-3-yl)methanone is sourced from PubChem (CID 107360114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 107360114 — identifiers, structure, computed properties (public domain)

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