(4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone

C15H11Br2NOS — CID 80537318

IUPAC(4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone
SMILESCCc1cccc2c(C(=O)c3cc(Br)c(Br)s3)c[nH]c12
InChIInChI=1S/C15H11Br2NOS/c1-2-8-4-3-5-9-10(7-18-13(8)9)14(19)12-6-11(16)15(17)20-12/h3-7,18H,2H2,1H3
InChIKeyKOKAJIOTAOJXII-UHFFFAOYSA-N
MW413.13 g/mol
LogP5.55
Rot. Bonds3

About (4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone

(4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone (PubChem CID 80537318) has the molecular formula C15H11Br2NOS and a molecular weight of 413.13 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone
PubChem CID80537318
Molecular FormulaC15H11Br2NOS
Molecular Weight413.13 g/mol
Exact Mass410.89
IUPAC Name(4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone
SMILESCCc1cccc2c(C(=O)c3cc(Br)c(Br)s3)c[nH]c12
InChIInChI=1S/C15H11Br2NOS/c1-2-8-4-3-5-9-10(7-18-13(8)9)14(19)12-6-11(16)15(17)20-12/h3-7,18H,2H2,1H3
InChIKeyKOKAJIOTAOJXII-UHFFFAOYSA-N
XLogP5.55
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.13
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 107979602
(2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 107987127
(2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 43339323
(4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone
CID 80532446
(7-ethyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339331
(2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 43339292
(7-ethyl-1H-indol-3-yl)-(2-fluorophenyl)methanone
CID 43161290
(4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone
CID 83164049
(7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63491466
(4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 82779402
(E)-3-(7-ethyl-1H-indol-3-yl)but-2-enoic acid
CID 76847737
3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile
CID 107916704

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone (CID 80537318) is (4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone is CCc1cccc2c(C(=O)c3cc(Br)c(Br)s3)c[nH]c12.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone?
The InChIKey is KOKAJIOTAOJXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NOS/c1-2-8-4-3-5-9-10(7-18-13(8)9)14(19)12-6-11(16)15(17)20-12/h3-7,18H,2H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone?
(4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone has a molecular weight of 413.13 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 80537318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).