N-[2-(ethylaminomethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride

C19H25ClN2OS — CID 119440395

IUPACN-[2-(ethylaminomethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1csc2c1CCC(C)C2.Cl
InChIInChI=1S/C19H24N2OS.ClH/c1-3-20-11-14-6-4-5-7-17(14)21-19(22)16-12-23-18-10-13(2)8-9-15(16)18;/h4-7,12-13,20H,3,8-11H2,1-2H3,(H,21,22);1H
InChIKeyJQTDVUXYTOETRZ-UHFFFAOYSA-N
MW364.94 g/mol
LogP4.66
Rot. Bonds5

About N-[2-(ethylaminomethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride (PubChem CID 119440395) has the molecular formula C19H25ClN2OS and a molecular weight of 364.94 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
PubChem CID119440395
Molecular FormulaC19H25ClN2OS
Molecular Weight364.94 g/mol
Exact Mass364.14
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1csc2c1CCC(C)C2.Cl
InChIInChI=1S/C19H24N2OS.ClH/c1-3-20-11-14-6-4-5-7-17(14)21-19(22)16-12-23-18-10-13(2)8-9-15(16)18;/h4-7,12-13,20H,3,8-11H2,1-2H3,(H,21,22);1H
InChIKeyJQTDVUXYTOETRZ-UHFFFAOYSA-N
XLogP4.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.94
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(ethylaminomethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride 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

(6S)-N-(2-ethoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 946512
(6R)-6-methyl-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 945530
N-(2-amino-2-methylpropyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119629587
N-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 79194597
(6R)-N-(3-acetylphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2146391
(6R)-6-methyl-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 27233307
N-(3-fluorophenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2960348
(6S)-6-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 941570
6-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5219360
(6R)-6-methyl-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 942776
(6S)-6-methyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 42107387
N-(2-chloroprop-2-enyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 113238614

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride (CID 119440395) is N-[2-(ethylaminomethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride is CCNCc1ccccc1NC(=O)c1csc2c1CCC(C)C2.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride?
The InChIKey is JQTDVUXYTOETRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS.ClH/c1-3-20-11-14-6-4-5-7-17(14)21-19(22)16-12-23-18-10-13(2)8-9-15(16)18;/h4-7,12-13,20H,3,8-11H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride has a molecular weight of 364.94 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119440395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).