[2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium

C16H21N2OS+ — CID 8965622

IUPAC[2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESCc1ccc(C)c(NC(=O)C[NH+](C)Cc2cccs2)c1
InChIInChI=1S/C16H20N2OS/c1-12-6-7-13(2)15(9-12)17-16(19)11-18(3)10-14-5-4-8-20-14/h4-9H,10-11H2,1-3H3,(H,17,19)/p+1
InChIKeyXJJGRNLCZOECFT-UHFFFAOYSA-O
MW289.42 g/mol
LogP2.02
Rot. Bonds5

About [2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium

[2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8965622) has the molecular formula C16H21N2OS+ and a molecular weight of 289.42 g/mol. Its IUPAC name is [2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
PubChem CID8965622
Molecular FormulaC16H21N2OS+
Molecular Weight289.42 g/mol
Exact Mass289.14
IUPAC Name[2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESCc1ccc(C)c(NC(=O)C[NH+](C)Cc2cccs2)c1
InChIInChI=1S/C16H20N2OS/c1-12-6-7-13(2)15(9-12)17-16(19)11-18(3)10-14-5-4-8-20-14/h4-9H,10-11H2,1-3H3,(H,17,19)/p+1
InChIKeyXJJGRNLCZOECFT-UHFFFAOYSA-O
XLogP2.02
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,5-dimethylanilino)-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 9055138
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8964695
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800767
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(thiophen-2-ylmethyl)azanium
CID 8965607
[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965577
N-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
CID 3567082
ethyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718326
[2-(4-chloro-2-nitroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965814
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965326
[2-(2,5-dimethylanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 2714120
[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800780
(5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9294261

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium (CID 8965622) is [2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium is Cc1ccc(C)c(NC(=O)C[NH+](C)Cc2cccs2)c1.
What is the InChIKey of [2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is XJJGRNLCZOECFT-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20N2OS/c1-12-6-7-13(2)15(9-12)17-16(19)11-18(3)10-14-5-4-8-20-14/h4-9H,10-11H2,1-3H3,(H,17,19)/p+1.
What are the key properties of [2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
[2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 289.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8965622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).