[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone

C24H28N2OS — CID 20673337

IUPAC[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESCc1ccc2c(C(=O)c3ccc(CN4CCCC4)c(C)c3)c(N(C)C)sc2c1
InChIInChI=1S/C24H28N2OS/c1-16-7-10-20-21(13-16)28-24(25(3)4)22(20)23(27)18-8-9-19(17(2)14-18)15-26-11-5-6-12-26/h7-10,13-14H,5-6,11-12,15H2,1-4H3
InChIKeyCZGUMLOBNQRURL-UHFFFAOYSA-N
MW392.57 g/mol
LogP5.41
Rot. Bonds5

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

[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone (PubChem CID 20673337) has the molecular formula C24H28N2OS and a molecular weight of 392.57 g/mol. Its IUPAC name is [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone
PubChem CID20673337
Molecular FormulaC24H28N2OS
Molecular Weight392.57 g/mol
Exact Mass392.19
IUPAC Name[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESCc1ccc2c(C(=O)c3ccc(CN4CCCC4)c(C)c3)c(N(C)C)sc2c1
InChIInChI=1S/C24H28N2OS/c1-16-7-10-20-21(13-16)28-24(25(3)4)22(20)23(27)18-8-9-19(17(2)14-18)15-26-11-5-6-12-26/h7-10,13-14H,5-6,11-12,15H2,1-4H3
InChIKeyCZGUMLOBNQRURL-UHFFFAOYSA-N
XLogP5.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-[(3,4-Difluorophenyl)methyl-methylamino]-1-benzothiophen-3-yl]ethanone
CID 68192186
Phenyl-[5-(4-phenylphenyl)-2-piperidin-1-ylthiophen-3-yl]methanone
CID 132849019
[2-(4-Methylphenyl)-1-benzothiophen-3-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 20682311
Bis[3-(dimethylamino)-1-benzothiophen-2-yl]methanone
CID 21182891
[2-(Dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-methylphenyl)methanone
CID 21336623
(4-Bromo-3-methylphenyl)-[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]methanone
CID 22949486
7-[(3,4-Dimethylphenyl)methyl]-2,3,5,6-tetramethylthieno[2,3-b]pyridin-4-one
CID 53970376
5-Acetyl-7-[(3,4-dimethylphenyl)methyl]-2,3,6-trimethylthieno[2,3-b]pyridin-4-one
CID 54390521
[2-(Dimethylamino)-6-methyl-1-benzothiophen-3-yl]-(4-ethylphenyl)methanone
CID 54402675
7-[(3,4-Dimethylphenyl)methyl]-2,3,6-trimethyl-5-(2-methylprop-1-enyl)thieno[2,3-b]pyridin-4-one;7-[(3,4-dimethylphenyl)methyl]-2,3,6-trimethyl-5-(2-methylpropyl)thieno[2,3-b]pyridin-4-one
CID 54404962
[5-(Diethylamino)-4-phenylthiophen-2-yl]-(4-methylphenyl)methanone
CID 89785569
(4-Methylphenyl)-(4-phenyl-5-pyrrolidin-1-ylthiophen-2-yl)methanone
CID 89785947

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone (CID 20673337) is [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone is Cc1ccc2c(C(=O)c3ccc(CN4CCCC4)c(C)c3)c(N(C)C)sc2c1.
What is the InChIKey of [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The InChIKey is CZGUMLOBNQRURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2OS/c1-16-7-10-20-21(13-16)28-24(25(3)4)22(20)23(27)18-8-9-19(17(2)14-18)15-26-11-5-6-12-26/h7-10,13-14H,5-6,11-12,15H2,1-4H3.
What are the key properties of [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
[2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone has a molecular weight of 392.57 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-6-methyl-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 20673337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).