(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone

C14H10BrNO2S — CID 55239533

IUPAC(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3sccc3Br)c2c1
InChIInChI=1S/C14H10BrNO2S/c1-18-8-2-3-12-9(6-8)10(7-16-12)13(17)14-11(15)4-5-19-14/h2-7,16H,1H3
InChIKeyWJERXXNFWBZBGC-UHFFFAOYSA-N
MW336.21 g/mol
LogP4.23
Rot. Bonds3

About (3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone

(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone (PubChem CID 55239533) has the molecular formula C14H10BrNO2S and a molecular weight of 336.21 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
PubChem CID55239533
Molecular FormulaC14H10BrNO2S
Molecular Weight336.21 g/mol
Exact Mass334.96
IUPAC Name(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3sccc3Br)c2c1
InChIInChI=1S/C14H10BrNO2S/c1-18-8-2-3-12-9(6-8)10(7-16-12)13(17)14-11(15)4-5-19-14/h2-7,16H,1H3
InChIKeyWJERXXNFWBZBGC-UHFFFAOYSA-N
XLogP4.23
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127463
(5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
CID 63798607
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
(3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone
CID 63797545
(5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 80643241
(5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 79685949
(3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43248300
(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340450
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
4-(5-methoxy-1H-indole-3-carbonyl)benzonitrile
CID 53417893
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone (CID 55239533) is (3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone is COc1ccc2[nH]cc(C(=O)c3sccc3Br)c2c1.
What is the InChIKey of (3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone?
The InChIKey is WJERXXNFWBZBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2S/c1-18-8-2-3-12-9(6-8)10(7-16-12)13(17)14-11(15)4-5-19-14/h2-7,16H,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone?
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone has a molecular weight of 336.21 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 55239533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).