[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate

C19H22N2O4S — CID 55384222

IUPAC[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCC(=O)NC(=O)NCCc2cccs2)c(C)c1
InChIInChI=1S/C19H22N2O4S/c1-12-9-13(2)17(14(3)10-12)18(23)25-11-16(22)21-19(24)20-7-6-15-5-4-8-26-15/h4-5,8-10H,6-7,11H2,1-3H3,(H2,20,21,22,24)
InChIKeyUTVCHAPLIOLBCC-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.90
Rot. Bonds6

About [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate

[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate (PubChem CID 55384222) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate
PubChem CID55384222
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCC(=O)NC(=O)NCCc2cccs2)c(C)c1
InChIInChI=1S/C19H22N2O4S/c1-12-9-13(2)17(14(3)10-12)18(23)25-11-16(22)21-19(24)20-7-6-15-5-4-8-26-15/h4-5,8-10H,6-7,11H2,1-3H3,(H2,20,21,22,24)
InChIKeyUTVCHAPLIOLBCC-UHFFFAOYSA-N
XLogP2.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate with MolForge

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Related Compounds

1-O-ethyl 3-O-[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate
CID 33328996
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55386197
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 27717102
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate
CID 24531108
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46822072
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(2-methylpropoxy)benzoate
CID 33340577
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 55384969
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate
CID 24626790
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 55384609
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-methyl-4-nitrobenzoate
CID 7604249
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate
CID 42204645
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8952411

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate (CID 55384222) is [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate is Cc1cc(C)c(C(=O)OCC(=O)NC(=O)NCCc2cccs2)c(C)c1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate?
The InChIKey is UTVCHAPLIOLBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-12-9-13(2)17(14(3)10-12)18(23)25-11-16(22)21-19(24)20-7-6-15-5-4-8-26-15/h4-5,8-10H,6-7,11H2,1-3H3,(H2,20,21,22,24).
What are the key properties of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate?
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate has a molecular weight of 374.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate is sourced from PubChem (CID 55384222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).