N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide

C16H18N2OS — CID 75482522

IUPACN-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C16H18N2OS/c19-16(6-5-15-2-1-9-20-15)18-14-4-3-12-7-8-17-11-13(12)10-14/h1-4,9-10,17H,5-8,11H2,(H,18,19)
InChIKeyGYDDFATXBIVSLL-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.97
Rot. Bonds4

About N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide

N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide (PubChem CID 75482522) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide
PubChem CID75482522
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C16H18N2OS/c19-16(6-5-15-2-1-9-20-15)18-14-4-3-12-7-8-17-11-13(12)10-14/h1-4,9-10,17H,5-8,11H2,(H,18,19)
InChIKeyGYDDFATXBIVSLL-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide
CID 119581012
N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
CID 2991783
4-(3-thiophen-2-ylpropanoylamino)benzamide
CID 8571859
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-4-thiophen-2-ylbutanamide
CID 80548121
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide
CID 110303769
3-(3-thiophen-2-ylpropanoylamino)benzamide
CID 17436122
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806990
N-(1H-indazol-5-yl)-3-thiophen-2-ylpropanamide
CID 134050773
N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide
CID 38370894
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-thiophen-2-ylpropanamide
CID 68636768
3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581050

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide (CID 75482522) is N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)Nc1ccc2c(c1)CNCC2.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is GYDDFATXBIVSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-16(6-5-15-2-1-9-20-15)18-14-4-3-12-7-8-17-11-13(12)10-14/h1-4,9-10,17H,5-8,11H2,(H,18,19).
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide?
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 286.40 g/mol, XLogP of 2.97, 4 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-7-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 75482522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).