N-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C15H14N2O2S — CID 110866118

IUPACN-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NC(=O)N1CCc2ccccc2C1)c1cccs1
InChIInChI=1S/C15H14N2O2S/c18-14(13-6-3-9-20-13)16-15(19)17-8-7-11-4-1-2-5-12(11)10-17/h1-6,9H,7-8,10H2,(H,16,18,19)
InChIKeyKUUOOHRSCUFTNU-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.66
Rot. Bonds1

About N-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 110866118) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID110866118
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NC(=O)N1CCc2ccccc2C1)c1cccs1
InChIInChI=1S/C15H14N2O2S/c18-14(13-6-3-9-20-13)16-15(19)17-8-7-11-4-1-2-5-12(11)10-17/h1-6,9H,7-8,10H2,(H,16,18,19)
InChIKeyKUUOOHRSCUFTNU-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 47008426
3,4-dihydro-1H-isoquinolin-2-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90511006
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide
CID 33071780
[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 7760002
N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 2942390
4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 110866230
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 2448127
4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 110866159
(E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-thiophen-2-ylprop-2-en-1-one
CID 110298524
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 42762428
N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108895492
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926

Frequently Asked Questions

What is the IUPAC name of N-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 110866118) is N-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(NC(=O)N1CCc2ccccc2C1)c1cccs1.
What is the InChIKey of N-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is KUUOOHRSCUFTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c18-14(13-6-3-9-20-13)16-15(19)17-8-7-11-4-1-2-5-12(11)10-17/h1-6,9H,7-8,10H2,(H,16,18,19).
What are the key properties of N-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 110866118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).