[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate

C20H22N2O4S — CID 27717102

IUPAC[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2c(c1)CCCC2)NC(=O)NCCc1cccs1
InChIInChI=1S/C20H22N2O4S/c23-18(22-20(25)21-10-9-17-6-3-11-27-17)13-26-19(24)16-8-7-14-4-1-2-5-15(14)12-16/h3,6-8,11-12H,1-2,4-5,9-10,13H2,(H2,21,22,23,25)
InChIKeyLQJLUMIMOLECED-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.85
Rot. Bonds6

About [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate

[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 27717102) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID27717102
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2c(c1)CCCC2)NC(=O)NCCc1cccs1
InChIInChI=1S/C20H22N2O4S/c23-18(22-20(25)21-10-9-17-6-3-11-27-17)13-26-19(24)16-8-7-14-4-1-2-5-15(14)12-16/h3,6-8,11-12H,1-2,4-5,9-10,13H2,(H2,21,22,23,25)
InChIKeyLQJLUMIMOLECED-UHFFFAOYSA-N
XLogP2.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate with MolForge

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Related Compounds

[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010058
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate
CID 24531108
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770063
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate
CID 55384222
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(2-methylpropoxy)benzoate
CID 33340577
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] 1-hydroxycyclohexane-1-carboxylate
CID 24626790
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate
CID 8861267
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55386197
[2-(2-methoxyethylamino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706555
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 7735138
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-methoxybenzoate
CID 8866793

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 27717102) is [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate is O=C(COC(=O)c1ccc2c(c1)CCCC2)NC(=O)NCCc1cccs1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is LQJLUMIMOLECED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c23-18(22-20(25)21-10-9-17-6-3-11-27-17)13-26-19(24)16-8-7-14-4-1-2-5-15(14)12-16/h3,6-8,11-12H,1-2,4-5,9-10,13H2,(H2,21,22,23,25).
What are the key properties of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 386.47 g/mol, XLogP of 2.85, 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] 5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 27717102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).