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

C17H20N2OS — CID 80548121

IUPACN-(1,2,3,4-tetrahydroisoquinolin-5-yl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cccc2c1CCNC2
InChIInChI=1S/C17H20N2OS/c20-17(8-2-5-14-6-3-11-21-14)19-16-7-1-4-13-12-18-10-9-15(13)16/h1,3-4,6-7,11,18H,2,5,8-10,12H2,(H,19,20)
InChIKeyGGILMRHXEFFUOQ-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.36
Rot. Bonds5

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

N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-4-thiophen-2-ylbutanamide (PubChem CID 80548121) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-5-yl)-4-thiophen-2-ylbutanamide
PubChem CID80548121
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-5-yl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cccc2c1CCNC2
InChIInChI=1S/C17H20N2OS/c20-17(8-2-5-14-6-3-11-21-14)19-16-7-1-4-13-12-18-10-9-15(13)16/h1,3-4,6-7,11,18H,2,5,8-10,12H2,(H,19,20)
InChIKeyGGILMRHXEFFUOQ-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide
CID 80554562
N-(2-iodophenyl)-4-thiophen-2-ylbutanamide
CID 26087634
3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 43808408
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide
CID 75482522
4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 78781844
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide
CID 80554577
N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide
CID 167851976
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-thiophen-2-ylpropanamide
CID 68636768
N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide
CID 78770266
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 80554575
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-4-thiophen-2-ylbutanamide (CID 80548121) is N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1cccc2c1CCNC2.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-4-thiophen-2-ylbutanamide?
The InChIKey is GGILMRHXEFFUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c20-17(8-2-5-14-6-3-11-21-14)19-16-7-1-4-13-12-18-10-9-15(13)16/h1,3-4,6-7,11,18H,2,5,8-10,12H2,(H,19,20).
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-4-thiophen-2-ylbutanamide?
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-4-thiophen-2-ylbutanamide has a molecular weight of 300.43 g/mol, XLogP of 3.36, 5 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)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 80548121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).