[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium

C20H20FN2OS+ — CID 8516849

IUPAC[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESC[NH+](Cc1cccs1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H19FN2OS/c1-23(14-18-8-5-13-25-18)19(15-6-3-2-4-7-15)20(24)22-17-11-9-16(21)10-12-17/h2-13,19H,14H2,1H3,(H,22,24)/p+1/t19-/m1/s1
InChIKeyWQXLGAJVIGFCLU-LJQANCHMSA-O
MW355.46 g/mol
LogP3.28
Rot. Bonds6

About [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium

[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8516849) has the molecular formula C20H20FN2OS+ and a molecular weight of 355.46 g/mol. Its IUPAC name is [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
PubChem CID8516849
Molecular FormulaC20H20FN2OS+
Molecular Weight355.46 g/mol
Exact Mass355.13
IUPAC Name[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESC[NH+](Cc1cccs1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H19FN2OS/c1-23(14-18-8-5-13-25-18)19(15-6-3-2-4-7-15)20(24)22-17-11-9-16(21)10-12-17/h2-13,19H,14H2,1H3,(H,22,24)/p+1/t19-/m1/s1
InChIKeyWQXLGAJVIGFCLU-LJQANCHMSA-O
XLogP3.28
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium with MolForge

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Related Compounds

methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
CID 8516839
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516784
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516835
methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
CID 8517042
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049751
cyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium
CID 8009103
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9040937
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
(2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051153
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
CID 9040997
[(2S)-1-anilino-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718586
(2S)-N-(4-fluorophenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 41141675

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium (CID 8516849) is [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium is C[NH+](Cc1cccs1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is WQXLGAJVIGFCLU-LJQANCHMSA-O. The full InChI is InChI=1S/C20H19FN2OS/c1-23(14-18-8-5-13-25-18)19(15-6-3-2-4-7-15)20(24)22-17-11-9-16(21)10-12-17/h2-13,19H,14H2,1H3,(H,22,24)/p+1/t19-/m1/s1.
What are the key properties of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium?
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 355.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8516849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).