[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate

C21H18N2O5S2 — CID 55386197

IUPAC[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1cccs1)NC(=O)NCCc1cccs1
InChIInChI=1S/C21H18N2O5S2/c24-18(23-21(27)22-10-9-14-5-3-11-29-14)13-28-20(26)16-7-2-1-6-15(16)19(25)17-8-4-12-30-17/h1-8,11-12H,9-10,13H2,(H2,22,23,24,27)
InChIKeyIHNXAKUGQVRJBZ-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.27
Rot. Bonds8

About [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate

[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate (PubChem CID 55386197) has the molecular formula C21H18N2O5S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
PubChem CID55386197
Molecular FormulaC21H18N2O5S2
Molecular Weight442.52 g/mol
Exact Mass442.07
IUPAC Name[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1cccs1)NC(=O)NCCc1cccs1
InChIInChI=1S/C21H18N2O5S2/c24-18(23-21(27)22-10-9-14-5-3-11-29-14)13-28-20(26)16-7-2-1-6-15(16)19(25)17-8-4-12-30-17/h1-8,11-12H,9-10,13H2,(H2,22,23,24,27)
InChIKeyIHNXAKUGQVRJBZ-UHFFFAOYSA-N
XLogP3.27
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55423830
3-thiophen-2-ylpropyl 2-(thiophene-2-carbonyl)benzoate
CID 11960620
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate
CID 55384222
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate
CID 8936148
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 55384969
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55367076
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 16562405
(2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate
CID 18151557
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate
CID 24531108
[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] 1-hydroxycyclohexane-1-carboxylate
CID 24626790
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 55384609

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate (CID 55386197) is [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate is O=C(COC(=O)c1ccccc1C(=O)c1cccs1)NC(=O)NCCc1cccs1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate?
The InChIKey is IHNXAKUGQVRJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5S2/c24-18(23-21(27)22-10-9-14-5-3-11-29-14)13-28-20(26)16-7-2-1-6-15(16)19(25)17-8-4-12-30-17/h1-8,11-12H,9-10,13H2,(H2,22,23,24,27).
What are the key properties of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate?
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate has a molecular weight of 442.52 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate is sourced from PubChem (CID 55386197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).