(2,3-dichlorophenyl)-(6-ethenyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone

C16H11Cl2NOS — CID 50899678

IUPAC(2,3-dichlorophenyl)-(6-ethenyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone
SMILESC=Cn1c(C)cc2cc(C(=O)c3cccc(Cl)c3Cl)sc21
InChIInChI=1S/C16H11Cl2NOS/c1-3-19-9(2)7-10-8-13(21-16(10)19)15(20)11-5-4-6-12(17)14(11)18/h3-8H,1H2,2H3
InChIKeyKFLNDUUUYUQMHZ-UHFFFAOYSA-N
MW336.24 g/mol
LogP5.65
Rot. Bonds3

About (2,3-dichlorophenyl)-(6-ethenyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone

(2,3-dichlorophenyl)-(6-ethenyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone (PubChem CID 50899678) has the molecular formula C16H11Cl2NOS and a molecular weight of 336.24 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(6-ethenyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(6-ethenyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone
PubChem CID50899678
Molecular FormulaC16H11Cl2NOS
Molecular Weight336.24 g/mol
Exact Mass334.99
IUPAC Name(2,3-dichlorophenyl)-(6-ethenyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone
SMILESC=Cn1c(C)cc2cc(C(=O)c3cccc(Cl)c3Cl)sc21
InChIInChI=1S/C16H11Cl2NOS/c1-3-19-9(2)7-10-8-13(21-16(10)19)15(20)11-5-4-6-12(17)14(11)18/h3-8H,1H2,2H3
InChIKeyKFLNDUUUYUQMHZ-UHFFFAOYSA-N
XLogP5.65
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.24
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,3-dichlorophenyl)-(6-ethenyl-5-methylthieno[2,3-b]pyrrol-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 (2,3-dichlorophenyl)-(6-ethenyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(6-ethenyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone (CID 50899678) is (2,3-dichlorophenyl)-(6-ethenyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(6-ethenyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(6-ethenyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone is C=Cn1c(C)cc2cc(C(=O)c3cccc(Cl)c3Cl)sc21.
What is the InChIKey of (2,3-dichlorophenyl)-(6-ethenyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone?
The InChIKey is KFLNDUUUYUQMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NOS/c1-3-19-9(2)7-10-8-13(21-16(10)19)15(20)11-5-4-6-12(17)14(11)18/h3-8H,1H2,2H3.
What are the key properties of (2,3-dichlorophenyl)-(6-ethenyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone?
(2,3-dichlorophenyl)-(6-ethenyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone has a molecular weight of 336.24 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(6-ethenyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone is sourced from PubChem (CID 50899678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).