N-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C16H24N2OS — CID 66470795

IUPACN-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESO=C(NCCc1ccsc1)C1CCC2CCCCC2N1
InChIInChI=1S/C16H24N2OS/c19-16(17-9-7-12-8-10-20-11-12)15-6-5-13-3-1-2-4-14(13)18-15/h8,10-11,13-15,18H,1-7,9H2,(H,17,19)
InChIKeyBOJFWEWUMKEFSY-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.72
Rot. Bonds4

About N-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 66470795) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID66470795
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESO=C(NCCc1ccsc1)C1CCC2CCCCC2N1
InChIInChI=1S/C16H24N2OS/c19-16(17-9-7-12-8-10-20-11-12)15-6-5-13-3-1-2-4-14(13)18-15/h8,10-11,13-15,18H,1-7,9H2,(H,17,19)
InChIKeyBOJFWEWUMKEFSY-UHFFFAOYSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide with MolForge

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Related Compounds

(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide
CID 61474678
N-[2-(4-hydroxyphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 61238736
2-hydroxy-N-(2-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 110015235
5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide
CID 107436034
(3R)-N-(2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 81140487
N-(3,3,3-trifluoropropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470195
N-(2-propan-2-yloxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 104761117
N-(3-propoxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 82940665
N-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride
CID 45108547
N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471590
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471579
N-[2-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469180

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 66470795) is N-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is O=C(NCCc1ccsc1)C1CCC2CCCCC2N1.
What is the InChIKey of N-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is BOJFWEWUMKEFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c19-16(17-9-7-12-8-10-20-11-12)15-6-5-13-3-1-2-4-14(13)18-15/h8,10-11,13-15,18H,1-7,9H2,(H,17,19).
What are the key properties of N-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 66470795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).