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

C15H11Br2NO2S — CID 107960236

IUPAC(2,5-dibromothiophen-3-yl)-(4-methoxy-1-methylindol-3-yl)methanone
SMILESCOc1cccc2c1c(C(=O)c1cc(Br)sc1Br)cn2C
InChIInChI=1S/C15H11Br2NO2S/c1-18-7-9(13-10(18)4-3-5-11(13)20-2)14(19)8-6-12(16)21-15(8)17/h3-7H,1-2H3
InChIKeyCZGDWUGKOGKBRA-UHFFFAOYSA-N
MW429.13 g/mol
LogP5.00
Rot. Bonds3

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

(2,5-dibromothiophen-3-yl)-(4-methoxy-1-methylindol-3-yl)methanone (PubChem CID 107960236) has the molecular formula C15H11Br2NO2S and a molecular weight of 429.13 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(4-methoxy-1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(4-methoxy-1-methylindol-3-yl)methanone
PubChem CID107960236
Molecular FormulaC15H11Br2NO2S
Molecular Weight429.13 g/mol
Exact Mass426.89
IUPAC Name(2,5-dibromothiophen-3-yl)-(4-methoxy-1-methylindol-3-yl)methanone
SMILESCOc1cccc2c1c(C(=O)c1cc(Br)sc1Br)cn2C
InChIInChI=1S/C15H11Br2NO2S/c1-18-7-9(13-10(18)4-3-5-11(13)20-2)14(19)8-6-12(16)21-15(8)17/h3-7H,1-2H3
InChIKeyCZGDWUGKOGKBRA-UHFFFAOYSA-N
XLogP5.00
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.13
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(4-methoxy-1-methylindol-3-yl)methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(4-methoxy-1-methylindol-3-yl)methanone (CID 107960236) is (2,5-dibromothiophen-3-yl)-(4-methoxy-1-methylindol-3-yl)methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(4-methoxy-1-methylindol-3-yl)methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(4-methoxy-1-methylindol-3-yl)methanone is COc1cccc2c1c(C(=O)c1cc(Br)sc1Br)cn2C.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(4-methoxy-1-methylindol-3-yl)methanone?
The InChIKey is CZGDWUGKOGKBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO2S/c1-18-7-9(13-10(18)4-3-5-11(13)20-2)14(19)8-6-12(16)21-15(8)17/h3-7H,1-2H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(4-methoxy-1-methylindol-3-yl)methanone?
(2,5-dibromothiophen-3-yl)-(4-methoxy-1-methylindol-3-yl)methanone has a molecular weight of 429.13 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(4-methoxy-1-methylindol-3-yl)methanone is sourced from PubChem (CID 107960236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).