ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

C19H26N3O2S+ — CID 8769822

IUPACethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
SMILESCCc1ccccc1NC(=O)CNC(=O)C[NH+](CC)Cc1cccs1
InChIInChI=1S/C19H25N3O2S/c1-3-15-8-5-6-10-17(15)21-18(23)12-20-19(24)14-22(4-2)13-16-9-7-11-25-16/h5-11H,3-4,12-14H2,1-2H3,(H,20,24)(H,21,23)/p+1
InChIKeyWHDVVGSLNVZFOG-UHFFFAOYSA-O
MW360.50 g/mol
LogP1.47
Rot. Bonds9

About ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 8769822) has the molecular formula C19H26N3O2S+ and a molecular weight of 360.50 g/mol. Its IUPAC name is ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Nameethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
PubChem CID8769822
Molecular FormulaC19H26N3O2S+
Molecular Weight360.50 g/mol
Exact Mass360.17
IUPAC Nameethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
SMILESCCc1ccccc1NC(=O)CNC(=O)C[NH+](CC)Cc1cccs1
InChIInChI=1S/C19H25N3O2S/c1-3-15-8-5-6-10-17(15)21-18(23)12-20-19(24)14-22(4-2)13-16-9-7-11-25-16/h5-11H,3-4,12-14H2,1-2H3,(H,20,24)(H,21,23)/p+1
InChIKeyWHDVVGSLNVZFOG-UHFFFAOYSA-O
XLogP1.47
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium with MolForge

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Related Compounds

ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718287
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8801322
ethyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718326
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718095
[2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800916
[2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8717939
ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8906119
[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
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718256
[2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8717971
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide
CID 112998996

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The IUPAC name of ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (CID 8769822) is ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is CCc1ccccc1NC(=O)CNC(=O)C[NH+](CC)Cc1cccs1.
What is the InChIKey of ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The InChIKey is WHDVVGSLNVZFOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N3O2S/c1-3-15-8-5-6-10-17(15)21-18(23)12-20-19(24)14-22(4-2)13-16-9-7-11-25-16/h5-11H,3-4,12-14H2,1-2H3,(H,20,24)(H,21,23)/p+1.
What are the key properties of ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 360.50 g/mol, XLogP of 1.47, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8769822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).