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

C16H18N2OS — CID 106901236

IUPACN-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCC(NC(=O)C1CNc2ccccc2C1)c1cccs1
InChIInChI=1S/C16H18N2OS/c1-11(15-7-4-8-20-15)18-16(19)13-9-12-5-2-3-6-14(12)17-10-13/h2-8,11,13,17H,9-10H2,1H3,(H,18,19)
InChIKeyGVQYNZXQKASMIL-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.21
Rot. Bonds3

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

N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901236) 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-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901236
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCC(NC(=O)C1CNc2ccccc2C1)c1cccs1
InChIInChI=1S/C16H18N2OS/c1-11(15-7-4-8-20-15)18-16(19)13-9-12-5-2-3-6-14(12)17-10-13/h2-8,11,13,17H,9-10H2,1H3,(H,18,19)
InChIKeyGVQYNZXQKASMIL-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901259
(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 94154276
N-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxamide
CID 81407911
N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107219186
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43534409
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37006047
N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901728
N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
CID 30971824
4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408620
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689
1-oxo-N-(1-thiophen-2-ylethyl)-3,4-dihydroisochromene-3-carboxamide
CID 5262609

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901236) is N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is CC(NC(=O)C1CNc2ccccc2C1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is GVQYNZXQKASMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11(15-7-4-8-20-15)18-16(19)13-9-12-5-2-3-6-14(12)17-10-13/h2-8,11,13,17H,9-10H2,1H3,(H,18,19).
What are the key properties of N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.21, 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-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).