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

C19H19NOS — CID 21336623

IUPAC[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(N(C)C)sc3cc(C)ccc23)cc1
InChIInChI=1S/C19H19NOS/c1-12-5-8-14(9-6-12)18(21)17-15-10-7-13(2)11-16(15)22-19(17)20(3)4/h5-11H,1-4H3
InChIKeyNYFYTVDWJCRDFC-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.82
Rot. Bonds3

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

[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-methylphenyl)methanone (PubChem CID 21336623) has the molecular formula C19H19NOS and a molecular weight of 309.43 g/mol. Its IUPAC name is [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-methylphenyl)methanone
PubChem CID21336623
Molecular FormulaC19H19NOS
Molecular Weight309.43 g/mol
Exact Mass309.12
IUPAC Name[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(N(C)C)sc3cc(C)ccc23)cc1
InChIInChI=1S/C19H19NOS/c1-12-5-8-14(9-6-12)18(21)17-15-10-7-13(2)11-16(15)22-19(17)20(3)4/h5-11H,1-4H3
InChIKeyNYFYTVDWJCRDFC-UHFFFAOYSA-N
XLogP4.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-methylphenyl)methanone?
The IUPAC name of [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-methylphenyl)methanone (CID 21336623) is [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2c(N(C)C)sc3cc(C)ccc23)cc1.
What is the InChIKey of [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-methylphenyl)methanone?
The InChIKey is NYFYTVDWJCRDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS/c1-12-5-8-14(9-6-12)18(21)17-15-10-7-13(2)11-16(15)22-19(17)20(3)4/h5-11H,1-4H3.
What are the key properties of [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-methylphenyl)methanone?
[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-methylphenyl)methanone has a molecular weight of 309.43 g/mol, XLogP of 4.82, 3 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-methylphenyl)methanone is sourced from PubChem (CID 21336623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).