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

C16H21N2OS+ — CID 2541465

IUPACmethyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium
SMILESC[C@H](NC(=O)C[NH+](C)Cc1cccs1)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-13(14-7-4-3-5-8-14)17-16(19)12-18(2)11-15-9-6-10-20-15/h3-10,13H,11-12H2,1-2H3,(H,17,19)/p+1/t13-/m0/s1
InChIKeyUIEYLFVYBVUYAO-ZDUSSCGKSA-O
MW289.42 g/mol
LogP1.64
Rot. Bonds6

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

methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 2541465) has the molecular formula C16H21N2OS+ and a molecular weight of 289.42 g/mol. Its IUPAC name is methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Namemethyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium
PubChem CID2541465
Molecular FormulaC16H21N2OS+
Molecular Weight289.42 g/mol
Exact Mass289.14
IUPAC Namemethyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium
SMILESC[C@H](NC(=O)C[NH+](C)Cc1cccs1)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-13(14-7-4-3-5-8-14)17-16(19)12-18(2)11-15-9-6-10-20-15/h3-10,13H,11-12H2,1-2H3,(H,17,19)/p+1/t13-/m0/s1
InChIKeyUIEYLFVYBVUYAO-ZDUSSCGKSA-O
XLogP1.64
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(thiophen-2-ylmethyl)azanium
CID 8965607
methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9261608
[2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8717939
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965586
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8913554
(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 2577327
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium
CID 8805322
(3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
CID 7269525
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8506457
4-oxo-N-[(1S)-1-phenylethyl]-4-thiophen-2-ylbutanamide
CID 2704695
N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42999115
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium
CID 8913853

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium?
The IUPAC name of methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium (CID 2541465) is methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium is C[C@H](NC(=O)C[NH+](C)Cc1cccs1)c1ccccc1.
What is the InChIKey of methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium?
The InChIKey is UIEYLFVYBVUYAO-ZDUSSCGKSA-O. The full InChI is InChI=1S/C16H20N2OS/c1-13(14-7-4-3-5-8-14)17-16(19)12-18(2)11-15-9-6-10-20-15/h3-10,13H,11-12H2,1-2H3,(H,17,19)/p+1/t13-/m0/s1.
What are the key properties of methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium?
methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 289.42 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 2541465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).