ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

C18H25N2OS+ — CID 8718287

IUPACethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
SMILESCCc1cccc(C)c1NC(=O)C[NH+](CC)Cc1cccs1
InChIInChI=1S/C18H24N2OS/c1-4-15-9-6-8-14(3)18(15)19-17(21)13-20(5-2)12-16-10-7-11-22-16/h6-11H,4-5,12-13H2,1-3H3,(H,19,21)/p+1
InChIKeyITYGJRSJAOOFLK-UHFFFAOYSA-O
MW317.48 g/mol
LogP2.66
Rot. Bonds7

About ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 8718287) has the molecular formula C18H25N2OS+ and a molecular weight of 317.48 g/mol. Its IUPAC name is ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Nameethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
PubChem CID8718287
Molecular FormulaC18H25N2OS+
Molecular Weight317.48 g/mol
Exact Mass317.17
IUPAC Nameethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
SMILESCCc1cccc(C)c1NC(=O)C[NH+](CC)Cc1cccs1
InChIInChI=1S/C18H24N2OS/c1-4-15-9-6-8-14(3)18(15)19-17(21)13-20(5-2)12-16-10-7-11-22-16/h6-11H,4-5,12-13H2,1-3H3,(H,19,21)/p+1
InChIKeyITYGJRSJAOOFLK-UHFFFAOYSA-O
XLogP2.66
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718256
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 112997000
ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8769822
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718095
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718114
ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 8718122
ethyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718326
N-(2-ethyl-6-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055309
[2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8717971
N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 2455483
[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800780
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 9055512

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The IUPAC name of ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (CID 8718287) is ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is CCc1cccc(C)c1NC(=O)C[NH+](CC)Cc1cccs1.
What is the InChIKey of ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The InChIKey is ITYGJRSJAOOFLK-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H24N2OS/c1-4-15-9-6-8-14(3)18(15)19-17(21)13-20(5-2)12-16-10-7-11-22-16/h6-11H,4-5,12-13H2,1-3H3,(H,19,21)/p+1.
What are the key properties of ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 317.48 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8718287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).