(4-methoxyphenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone

C15H13NO2S — CID 15591635

IUPAC(4-methoxyphenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3scc(C)c23)cc1
InChIInChI=1S/C15H13NO2S/c1-9-8-19-15-13(9)12(7-16-15)14(17)10-3-5-11(18-2)6-4-10/h3-8,16H,1-2H3
InChIKeyJBJLWIJYWJAPCP-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.78
Rot. Bonds3

About (4-methoxyphenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone

(4-methoxyphenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone (PubChem CID 15591635) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is (4-methoxyphenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
PubChem CID15591635
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name(4-methoxyphenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3scc(C)c23)cc1
InChIInChI=1S/C15H13NO2S/c1-9-8-19-15-13(9)12(7-16-15)14(17)10-3-5-11(18-2)6-4-10/h3-8,16H,1-2H3
InChIKeyJBJLWIJYWJAPCP-UHFFFAOYSA-N
XLogP3.78
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-methoxyphenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-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 (4-methoxyphenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone (CID 15591635) is (4-methoxyphenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone is COc1ccc(C(=O)c2c[nH]c3scc(C)c23)cc1.
What is the InChIKey of (4-methoxyphenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone?
The InChIKey is JBJLWIJYWJAPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-9-8-19-15-13(9)12(7-16-15)14(17)10-3-5-11(18-2)6-4-10/h3-8,16H,1-2H3.
What are the key properties of (4-methoxyphenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone?
(4-methoxyphenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone has a molecular weight of 271.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone is sourced from PubChem (CID 15591635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).