N-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)thiophene-2-carboxamide

C15H16N2OS — CID 82585130

IUPACN-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)thiophene-2-carboxamide
SMILESCC1NCc2ccccc2C1NC(=O)c1cccs1
InChIInChI=1S/C15H16N2OS/c1-10-14(17-15(18)13-7-4-8-19-13)12-6-3-2-5-11(12)9-16-10/h2-8,10,14,16H,9H2,1H3,(H,17,18)
InChIKeyHWJUSFIOXIUMSF-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.71
Rot. Bonds2

About N-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)thiophene-2-carboxamide

N-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)thiophene-2-carboxamide (PubChem CID 82585130) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)thiophene-2-carboxamide
PubChem CID82585130
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)thiophene-2-carboxamide
SMILESCC1NCc2ccccc2C1NC(=O)c1cccs1
InChIInChI=1S/C15H16N2OS/c1-10-14(17-15(18)13-7-4-8-19-13)12-6-3-2-5-11(12)9-16-10/h2-8,10,14,16H,9H2,1H3,(H,17,18)
InChIKeyHWJUSFIOXIUMSF-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)thiophene-2-carboxamide (CID 82585130) is N-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)thiophene-2-carboxamide is CC1NCc2ccccc2C1NC(=O)c1cccs1.
What is the InChIKey of N-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)thiophene-2-carboxamide?
The InChIKey is HWJUSFIOXIUMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-14(17-15(18)13-7-4-8-19-13)12-6-3-2-5-11(12)9-16-10/h2-8,10,14,16H,9H2,1H3,(H,17,18).
What are the key properties of N-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)thiophene-2-carboxamide?
N-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)thiophene-2-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 82585130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).