[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-thiophen-2-ylacetate

C19H22N2O4S — CID 9102475

IUPAC[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-thiophen-2-ylacetate
SMILESCc1cc(C)c(NC(=O)CNC(=O)COC(=O)Cc2cccs2)c(C)c1
InChIInChI=1S/C19H22N2O4S/c1-12-7-13(2)19(14(3)8-12)21-16(22)10-20-17(23)11-25-18(24)9-15-5-4-6-26-15/h4-8H,9-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyWFTSWQREAVUQJO-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.51
Rot. Bonds7

About [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-thiophen-2-ylacetate

[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-thiophen-2-ylacetate (PubChem CID 9102475) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-thiophen-2-ylacetate
PubChem CID9102475
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-thiophen-2-ylacetate
SMILESCc1cc(C)c(NC(=O)CNC(=O)COC(=O)Cc2cccs2)c(C)c1
InChIInChI=1S/C19H22N2O4S/c1-12-7-13(2)19(14(3)8-12)21-16(22)10-20-17(23)11-25-18(24)9-15-5-4-6-26-15/h4-8H,9-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyWFTSWQREAVUQJO-UHFFFAOYSA-N
XLogP2.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-thiophen-2-ylacetate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-thiophen-2-ylacetate (CID 9102475) is [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-thiophen-2-ylacetate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-thiophen-2-ylacetate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-thiophen-2-ylacetate is Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)Cc2cccs2)c(C)c1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-thiophen-2-ylacetate?
The InChIKey is WFTSWQREAVUQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-12-7-13(2)19(14(3)8-12)21-16(22)10-20-17(23)11-25-18(24)9-15-5-4-6-26-15/h4-8H,9-11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-thiophen-2-ylacetate?
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-thiophen-2-ylacetate has a molecular weight of 374.46 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-thiophen-2-ylacetate is sourced from PubChem (CID 9102475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).