N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride

C16H18ClFN2O2S — CID 120881581

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride
SMILESCOc1cc(C)sc1C(=O)Nc1ccc2c(c1F)CCNC2.Cl
InChIInChI=1S/C16H17FN2O2S.ClH/c1-9-7-13(21-2)15(22-9)16(20)19-12-4-3-10-8-18-6-5-11(10)14(12)17;/h3-4,7,18H,5-6,8H2,1-2H3,(H,19,20);1H
InChIKeyAVOOWTIEQUKAJI-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.52
Rot. Bonds3

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride (PubChem CID 120881581) has the molecular formula C16H18ClFN2O2S and a molecular weight of 356.85 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride
PubChem CID120881581
Molecular FormulaC16H18ClFN2O2S
Molecular Weight356.85 g/mol
Exact Mass356.08
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride
SMILESCOc1cc(C)sc1C(=O)Nc1ccc2c(c1F)CCNC2.Cl
InChIInChI=1S/C16H17FN2O2S.ClH/c1-9-7-13(21-2)15(22-9)16(20)19-12-4-3-10-8-18-6-5-11(10)14(12)17;/h3-4,7,18H,5-6,8H2,1-2H3,(H,19,20);1H
InChIKeyAVOOWTIEQUKAJI-UHFFFAOYSA-N
XLogP3.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide
CID 120883840
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 120883212
5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-methylthiophene-2-carboxamide;hydrochloride
CID 120883819
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120883217
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,5-dimethylbenzamide;hydrochloride
CID 120882587
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 120881693
3-(2,5-dimethoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120882745
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylsulfanylthiophene-2-carboxamide
CID 120883730
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 120882309
2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120883571
3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 120881524
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride
CID 120882521

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride (CID 120881581) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride is COc1cc(C)sc1C(=O)Nc1ccc2c(c1F)CCNC2.Cl.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride?
The InChIKey is AVOOWTIEQUKAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S.ClH/c1-9-7-13(21-2)15(22-9)16(20)19-12-4-3-10-8-18-6-5-11(10)14(12)17;/h3-4,7,18H,5-6,8H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120881581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).