[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium

C22H25N2O2S+ — CID 8516835

IUPAC[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESCCOc1ccccc1NC(=O)[C@H](c1ccccc1)[NH+](C)Cc1cccs1
InChIInChI=1S/C22H24N2O2S/c1-3-26-20-14-8-7-13-19(20)23-22(25)21(17-10-5-4-6-11-17)24(2)16-18-12-9-15-27-18/h4-15,21H,3,16H2,1-2H3,(H,23,25)/p+1/t21-/m0/s1
InChIKeyZJTFHZSLCHKONV-NRFANRHFSA-O
MW381.52 g/mol
LogP3.54
Rot. Bonds8

About [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium

[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8516835) has the molecular formula C22H25N2O2S+ and a molecular weight of 381.52 g/mol. Its IUPAC name is [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
PubChem CID8516835
Molecular FormulaC22H25N2O2S+
Molecular Weight381.52 g/mol
Exact Mass381.16
IUPAC Name[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESCCOc1ccccc1NC(=O)[C@H](c1ccccc1)[NH+](C)Cc1cccs1
InChIInChI=1S/C22H24N2O2S/c1-3-26-20-14-8-7-13-19(20)23-22(25)21(17-10-5-4-6-11-17)24(2)16-18-12-9-15-27-18/h4-15,21H,3,16H2,1-2H3,(H,23,25)/p+1/t21-/m0/s1
InChIKeyZJTFHZSLCHKONV-NRFANRHFSA-O
XLogP3.54
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516849
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium
CID 8514554
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516784
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516915
methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
CID 8517042
(2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide
CID 863429
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium
CID 2533842
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
ethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
CID 8718246
1-benzhydryl-3-(2-ethoxyphenyl)urea
CID 108867539
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate
CID 18078996

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium (CID 8516835) is [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium is CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[NH+](C)Cc1cccs1.
What is the InChIKey of [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is ZJTFHZSLCHKONV-NRFANRHFSA-O. The full InChI is InChI=1S/C22H24N2O2S/c1-3-26-20-14-8-7-13-19(20)23-22(25)21(17-10-5-4-6-11-17)24(2)16-18-12-9-15-27-18/h4-15,21H,3,16H2,1-2H3,(H,23,25)/p+1/t21-/m0/s1.
What are the key properties of [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium?
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 381.52 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8516835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).