1-benzothiophen-2-yl-(5-methoxy-1H-indol-2-yl)methanone

C18H13NO2S — CID 5330532

IUPAC1-benzothiophen-2-yl-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)c3cc4ccccc4s3)cc2c1
InChIInChI=1S/C18H13NO2S/c1-21-13-6-7-14-12(8-13)9-15(19-14)18(20)17-10-11-4-2-3-5-16(11)22-17/h2-10,19H,1H3
InChIKeyPQWWKEIRUGKODQ-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.62
Rot. Bonds3

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

1-benzothiophen-2-yl-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 5330532) has the molecular formula C18H13NO2S and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(5-methoxy-1H-indol-2-yl)methanone
PubChem CID5330532
Molecular FormulaC18H13NO2S
Molecular Weight307.37 g/mol
Exact Mass307.07
IUPAC Name1-benzothiophen-2-yl-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)c3cc4ccccc4s3)cc2c1
InChIInChI=1S/C18H13NO2S/c1-21-13-6-7-14-12(8-13)9-15(19-14)18(20)17-10-11-4-2-3-5-16(11)22-17/h2-10,19H,1H3
InChIKeyPQWWKEIRUGKODQ-UHFFFAOYSA-N
XLogP4.62
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzothiophen-2-yl-(5-methoxy-1H-indol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(5-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(5-methoxy-1H-indol-2-yl)methanone (CID 5330532) is 1-benzothiophen-2-yl-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(5-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(5-methoxy-1H-indol-2-yl)methanone is COc1ccc2[nH]c(C(=O)c3cc4ccccc4s3)cc2c1.
What is the InChIKey of 1-benzothiophen-2-yl-(5-methoxy-1H-indol-2-yl)methanone?
The InChIKey is PQWWKEIRUGKODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2S/c1-21-13-6-7-14-12(8-13)9-15(19-14)18(20)17-10-11-4-2-3-5-16(11)22-17/h2-10,19H,1H3.
What are the key properties of 1-benzothiophen-2-yl-(5-methoxy-1H-indol-2-yl)methanone?
1-benzothiophen-2-yl-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 307.37 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 5330532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).