[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium

C21H23N2O2S+ — CID 8516784

IUPAC[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESCOc1cccc(NC(=O)[C@H](c2ccccc2)[NH+](C)Cc2cccs2)c1
InChIInChI=1S/C21H22N2O2S/c1-23(15-19-12-7-13-26-19)20(16-8-4-3-5-9-16)21(24)22-17-10-6-11-18(14-17)25-2/h3-14,20H,15H2,1-2H3,(H,22,24)/p+1/t20-/m0/s1
InChIKeyFQXDZEXGZVVRQZ-FQEVSTJZSA-O
MW367.49 g/mol
LogP3.15
Rot. Bonds7

About [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium

[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8516784) has the molecular formula C21H23N2O2S+ and a molecular weight of 367.49 g/mol. Its IUPAC name is [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
PubChem CID8516784
Molecular FormulaC21H23N2O2S+
Molecular Weight367.49 g/mol
Exact Mass367.15
IUPAC Name[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESCOc1cccc(NC(=O)[C@H](c2ccccc2)[NH+](C)Cc2cccs2)c1
InChIInChI=1S/C21H22N2O2S/c1-23(15-19-12-7-13-26-19)20(16-8-4-3-5-9-16)21(24)22-17-10-6-11-18(14-17)25-2/h3-14,20H,15H2,1-2H3,(H,22,24)/p+1/t20-/m0/s1
InChIKeyFQXDZEXGZVVRQZ-FQEVSTJZSA-O
XLogP3.15
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.15
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
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965326
(3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
CID 2553869
methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
CID 8517042
(2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 7119786
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8788774
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516915
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 8696252
(2R)-2-(benzhydrylamino)-N-(3-methoxyphenyl)propanamide
CID 8545508
N-(4-methoxyphenyl)-2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetamide
CID 3378615
ethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
CID 8718246

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium (CID 8516784) is [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium is COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+](C)Cc2cccs2)c1.
What is the InChIKey of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is FQXDZEXGZVVRQZ-FQEVSTJZSA-O. The full InChI is InChI=1S/C21H22N2O2S/c1-23(15-19-12-7-13-26-19)20(16-8-4-3-5-9-16)21(24)22-17-10-6-11-18(14-17)25-2/h3-14,20H,15H2,1-2H3,(H,22,24)/p+1/t20-/m0/s1.
What are the key properties of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium?
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 367.49 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8516784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).