5-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-1H-indole

C23H17NOS — CID 156602537

IUPAC5-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-1H-indole
SMILESCOc1ccc(-c2sc3ccccc3c2-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C23H17NOS/c1-25-18-9-6-15(7-10-18)23-22(19-4-2-3-5-21(19)26-23)17-8-11-20-16(14-17)12-13-24-20/h2-14,24H,1H3
InChIKeyFRDFKOGGCTWUFK-UHFFFAOYSA-N
MW355.46 g/mol
LogP6.73
Rot. Bonds3

About 5-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-1H-indole

5-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-1H-indole (PubChem CID 156602537) has the molecular formula C23H17NOS and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-1H-indole.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-1H-indole
PubChem CID156602537
Molecular FormulaC23H17NOS
Molecular Weight355.46 g/mol
Exact Mass355.10
IUPAC Name5-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-1H-indole
SMILESCOc1ccc(-c2sc3ccccc3c2-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C23H17NOS/c1-25-18-9-6-15(7-10-18)23-22(19-4-2-3-5-21(19)26-23)17-8-11-20-16(14-17)12-13-24-20/h2-14,24H,1H3
InChIKeyFRDFKOGGCTWUFK-UHFFFAOYSA-N
XLogP6.73
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.46
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethan-1-amine
CID 3124849
BW-723C86
CID 5311036
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)benzene-1-sulfonamide
CID 24825388
5-[1-(4-Methoxy-benzenesulfonyl)-1,2,3,6-tetrahydro-pyridin-4-yl]-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indole
CID 44342727
4-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3161287
1-(5-(2-Thenyloxy)-1H-indol-3-yl)propan-2-amine
CID 4284720
5-(3-(3-methoxybenzyl)pyrrolidin-3-yl)-1H-indole
CID 44230734
Lopac-B-175
CID 6603733
3-{4-[4-(4-Methoxy-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-butyl}-1H-indole
CID 10092189
2-(3,5-dimethoxyphenyl)-5-(1H-indol-5-yl)-1-methyl-3-thiophen-2-ylindole
CID 44142634
2-(3,5-dimethoxyphenyl)-5-(1H-indol-6-yl)-1-methyl-3-thiophen-2-ylindole
CID 44142637
4-[3-(1H-indol-6-yl)-5-methoxy-1-benzothiophen-2-yl]-N,N-dimethylaniline
CID 44202212

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-1H-indole?
The IUPAC name of 5-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-1H-indole (CID 156602537) is 5-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-1H-indole.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-1H-indole?
The canonical SMILES for 5-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-1H-indole is COc1ccc(-c2sc3ccccc3c2-c2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-1H-indole?
The InChIKey is FRDFKOGGCTWUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NOS/c1-25-18-9-6-15(7-10-18)23-22(19-4-2-3-5-21(19)26-23)17-8-11-20-16(14-17)12-13-24-20/h2-14,24H,1H3.
What are the key properties of 5-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-1H-indole?
5-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-1H-indole has a molecular weight of 355.46 g/mol, XLogP of 6.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-1H-indole is sourced from PubChem (CID 156602537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).