[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)methanone

C20H21NOS — CID 54402675

IUPAC[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2c(N(C)C)sc3cc(C)ccc23)cc1
InChIInChI=1S/C20H21NOS/c1-5-14-7-9-15(10-8-14)19(22)18-16-11-6-13(2)12-17(16)23-20(18)21(3)4/h6-12H,5H2,1-4H3
InChIKeyVONSXLAMEHOAFQ-UHFFFAOYSA-N
MW323.46 g/mol
LogP5.07
Rot. Bonds4

About [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)methanone

[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)methanone (PubChem CID 54402675) has the molecular formula C20H21NOS and a molecular weight of 323.46 g/mol. Its IUPAC name is [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)methanone
PubChem CID54402675
Molecular FormulaC20H21NOS
Molecular Weight323.46 g/mol
Exact Mass323.13
IUPAC Name[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2c(N(C)C)sc3cc(C)ccc23)cc1
InChIInChI=1S/C20H21NOS/c1-5-14-7-9-15(10-8-14)19(22)18-16-11-6-13(2)12-17(16)23-20(18)21(3)4/h6-12H,5H2,1-4H3
InChIKeyVONSXLAMEHOAFQ-UHFFFAOYSA-N
XLogP5.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.46
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)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-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)methanone?
The IUPAC name of [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)methanone (CID 54402675) is [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)methanone.
What is the SMILES notation for [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)methanone?
The canonical SMILES for [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2c(N(C)C)sc3cc(C)ccc23)cc1.
What is the InChIKey of [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)methanone?
The InChIKey is VONSXLAMEHOAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NOS/c1-5-14-7-9-15(10-8-14)19(22)18-16-11-6-13(2)12-17(16)23-20(18)21(3)4/h6-12H,5H2,1-4H3.
What are the key properties of [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)methanone?
[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)methanone has a molecular weight of 323.46 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)methanone is sourced from PubChem (CID 54402675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).