N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide

C15H16N2OS — CID 80554562

IUPACN-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cccc2c1CCNC2
InChIInChI=1S/C15H16N2OS/c18-15(9-12-4-2-8-19-12)17-14-5-1-3-11-10-16-7-6-13(11)14/h1-5,8,16H,6-7,9-10H2,(H,17,18)
InChIKeyMUAIYAYBQYDJBP-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.58
Rot. Bonds3

About N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide

N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide (PubChem CID 80554562) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide
PubChem CID80554562
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cccc2c1CCNC2
InChIInChI=1S/C15H16N2OS/c18-15(9-12-4-2-8-19-12)17-14-5-1-3-11-10-16-7-6-13(11)14/h1-5,8,16H,6-7,9-10H2,(H,17,18)
InChIKeyMUAIYAYBQYDJBP-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-4-thiophen-2-ylbutanamide
CID 80548121
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-carboxamide
CID 80554310
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide
CID 80554577
N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide
CID 119320001
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 43808408
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 80554575
N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide
CID 119777460
2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide
CID 80554406
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895
2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
CID 114490988

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide (CID 80554562) is N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1cccc2c1CCNC2.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide?
The InChIKey is MUAIYAYBQYDJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-15(9-12-4-2-8-19-12)17-14-5-1-3-11-10-16-7-6-13(11)14/h1-5,8,16H,6-7,9-10H2,(H,17,18).
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide?
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide has a molecular weight of 272.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 80554562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).