[(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium

C20H24NOS+ — CID 7411959

IUPAC[(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
SMILESCc1ccc([C@H](CC[NH2+][C@@H](C)c2cccs2)c2ccco2)cc1
InChIInChI=1S/C20H23NOS/c1-15-7-9-17(10-8-15)18(19-5-3-13-22-19)11-12-21-16(2)20-6-4-14-23-20/h3-10,13-14,16,18,21H,11-12H2,1-2H3/p+1/t16-,18-/m0/s1
InChIKeyJFDCWISCXVUYIG-WMZOPIPTSA-O
MW326.49 g/mol
LogP4.50
Rot. Bonds7

About [(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium

[(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium (PubChem CID 7411959) has the molecular formula C20H24NOS+ and a molecular weight of 326.49 g/mol. Its IUPAC name is [(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium.

Molecular Properties

Compound Name[(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
PubChem CID7411959
Molecular FormulaC20H24NOS+
Molecular Weight326.49 g/mol
Exact Mass326.16
IUPAC Name[(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
SMILESCc1ccc([C@H](CC[NH2+][C@@H](C)c2cccs2)c2ccco2)cc1
InChIInChI=1S/C20H23NOS/c1-15-7-9-17(10-8-15)18(19-5-3-13-22-19)11-12-21-16(2)20-6-4-14-23-20/h3-10,13-14,16,18,21H,11-12H2,1-2H3/p+1/t16-,18-/m0/s1
InChIKeyJFDCWISCXVUYIG-WMZOPIPTSA-O
XLogP4.50
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium with MolForge

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Related Compounds

(3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 948883
3-(furan-2-yl)-3-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 3366871
[(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium
CID 7376292
N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 3838226
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 2022429
[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7707419
N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 2928642
1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one
CID 23824722
3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol
CID 82082551
(3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 156579514
[(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium
CID 7392780
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8756017

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium?
The IUPAC name of [(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium (CID 7411959) is [(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium.
What is the SMILES notation for [(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium?
The canonical SMILES for [(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium is Cc1ccc([C@H](CC[NH2+][C@@H](C)c2cccs2)c2ccco2)cc1.
What is the InChIKey of [(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium?
The InChIKey is JFDCWISCXVUYIG-WMZOPIPTSA-O. The full InChI is InChI=1S/C20H23NOS/c1-15-7-9-17(10-8-15)18(19-5-3-13-22-19)11-12-21-16(2)20-6-4-14-23-20/h3-10,13-14,16,18,21H,11-12H2,1-2H3/p+1/t16-,18-/m0/s1.
What are the key properties of [(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium?
[(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium has a molecular weight of 326.49 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium is sourced from PubChem (CID 7411959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).