3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride

C15H17ClN2O2S — CID 119581048

IUPAC3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride
SMILESCOc1ccsc1C(=O)Nc1ccc2c(c1)CNCC2.Cl
InChIInChI=1S/C15H16N2O2S.ClH/c1-19-13-5-7-20-14(13)15(18)17-12-3-2-10-4-6-16-9-11(10)8-12;/h2-3,5,7-8,16H,4,6,9H2,1H3,(H,17,18);1H
InChIKeyLTKIYJLPYAGZFE-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.08
Rot. Bonds3

About 3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride

3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 119581048) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride
PubChem CID119581048
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride
SMILESCOc1ccsc1C(=O)Nc1ccc2c(c1)CNCC2.Cl
InChIInChI=1S/C15H16N2O2S.ClH/c1-19-13-5-7-20-14(13)15(18)17-12-3-2-10-4-6-16-9-11(10)8-12;/h2-3,5,7-8,16H,4,6,9H2,1H3,(H,17,18);1H
InChIKeyLTKIYJLPYAGZFE-UHFFFAOYSA-N
XLogP3.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81118004
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide
CID 63900297
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581054
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide
CID 63900928
2-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81126498
3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide
CID 75369910
2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride
CID 119581059
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
CID 119581069
5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
CID 75469390
2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901524
2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901319
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride (CID 119581048) is 3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride is COc1ccsc1C(=O)Nc1ccc2c(c1)CNCC2.Cl.
What is the InChIKey of 3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is LTKIYJLPYAGZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S.ClH/c1-19-13-5-7-20-14(13)15(18)17-12-3-2-10-4-6-16-9-11(10)8-12;/h2-3,5,7-8,16H,4,6,9H2,1H3,(H,17,18);1H.
What are the key properties of 3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride?
3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 324.83 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119581048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).