ethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium

C23H27N2O2S+ — CID 8718246

IUPACethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](Cc1cccs1)[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1
InChIInChI=1S/C23H26N2O2S/c1-4-25(16-19-11-8-14-28-19)22(18-9-6-5-7-10-18)23(26)24-20-15-17(2)12-13-21(20)27-3/h5-15,22H,4,16H2,1-3H3,(H,24,26)/p+1/t22-/m1/s1
InChIKeyHFZQTLKPGKMCFI-JOCHJYFZSA-O
MW395.55 g/mol
LogP3.85
Rot. Bonds8

About ethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium

ethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 8718246) has the molecular formula C23H27N2O2S+ and a molecular weight of 395.55 g/mol. Its IUPAC name is ethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Nameethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
PubChem CID8718246
Molecular FormulaC23H27N2O2S+
Molecular Weight395.55 g/mol
Exact Mass395.18
IUPAC Nameethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](Cc1cccs1)[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1
InChIInChI=1S/C23H26N2O2S/c1-4-25(16-19-11-8-14-28-19)22(18-9-6-5-7-10-18)23(26)24-20-15-17(2)12-13-21(20)27-3/h5-15,22H,4,16H2,1-3H3,(H,24,26)/p+1/t22-/m1/s1
InChIKeyHFZQTLKPGKMCFI-JOCHJYFZSA-O
XLogP3.85
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium with MolForge

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Related Compounds

(2R)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(thiophen-2-ylmethylamino)acetamide
CID 8512914
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8514292
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516835
methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
CID 8516839
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772946
(2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide
CID 9267285
4-[[[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]amino]methyl]benzoic acid
CID 40843286
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate
CID 7765424
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516915
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722308

Frequently Asked Questions

What is the IUPAC name of ethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium?
The IUPAC name of ethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium (CID 8718246) is ethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for ethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for ethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium is CC[NH+](Cc1cccs1)[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1.
What is the InChIKey of ethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium?
The InChIKey is HFZQTLKPGKMCFI-JOCHJYFZSA-O. The full InChI is InChI=1S/C23H26N2O2S/c1-4-25(16-19-11-8-14-28-19)22(18-9-6-5-7-10-18)23(26)24-20-15-17(2)12-13-21(20)27-3/h5-15,22H,4,16H2,1-3H3,(H,24,26)/p+1/t22-/m1/s1.
What are the key properties of ethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium?
ethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 395.55 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8718246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).