N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C16H18N2OS — CID 43534409

IUPACN-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC(NC(=O)C1Cc2ccccc2CN1)c1cccs1
InChIInChI=1S/C16H18N2OS/c1-11(15-7-4-8-20-15)18-16(19)14-9-12-5-2-3-6-13(12)10-17-14/h2-8,11,14,17H,9-10H2,1H3,(H,18,19)
InChIKeySFEHPRJRTRTMBM-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.64
Rot. Bonds3

About N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 43534409) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID43534409
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC(NC(=O)C1Cc2ccccc2CN1)c1cccs1
InChIInChI=1S/C16H18N2OS/c1-11(15-7-4-8-20-15)18-16(19)14-9-12-5-2-3-6-13(12)10-17-14/h2-8,11,14,17H,9-10H2,1H3,(H,18,19)
InChIKeySFEHPRJRTRTMBM-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896578
N-[1-(5-methylfuran-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43703397
(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37006047
N-methyl-N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 60964201
(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154225
(3S)-N-(1-hydroxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896123
methyl (2S)-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate
CID 43709406
(3S)-N-[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 56663413
3-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoic acid
CID 61162351
methyl (2S)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
CID 93268314
N-(1-thiophen-2-ylethyl)azepane-2-carboxamide
CID 64563977
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901236

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 43534409) is N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CC(NC(=O)C1Cc2ccccc2CN1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is SFEHPRJRTRTMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11(15-7-4-8-20-15)18-16(19)14-9-12-5-2-3-6-13(12)10-17-14/h2-8,11,14,17H,9-10H2,1H3,(H,18,19).
What are the key properties of N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 43534409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).