[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate

C17H16ClFN2O4S — CID 28562331

IUPAC[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(F)cccc1Cl)NC(=O)NCCc1cccs1
InChIInChI=1S/C17H16ClFN2O4S/c18-13-4-1-5-14(19)12(13)9-16(23)25-10-15(22)21-17(24)20-7-6-11-3-2-8-26-11/h1-5,8H,6-7,9-10H2,(H2,20,21,22,24)
InChIKeyRWPGLHHPJJYEAV-UHFFFAOYSA-N
MW398.84 g/mol
LogP2.69
Rot. Bonds7

About [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 28562331) has the molecular formula C17H16ClFN2O4S and a molecular weight of 398.84 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID28562331
Molecular FormulaC17H16ClFN2O4S
Molecular Weight398.84 g/mol
Exact Mass398.05
IUPAC Name[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(F)cccc1Cl)NC(=O)NCCc1cccs1
InChIInChI=1S/C17H16ClFN2O4S/c18-13-4-1-5-14(19)12(13)9-16(23)25-10-15(22)21-17(24)20-7-6-11-3-2-8-26-11/h1-5,8H,6-7,9-10H2,(H2,20,21,22,24)
InChIKeyRWPGLHHPJJYEAV-UHFFFAOYSA-N
XLogP2.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.84
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-chloro-6-fluorobenzoate
CID 8863019
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2490465
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 33497901
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 34182625
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 46821409
[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-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616487
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718250
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate
CID 55384222
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718355
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 9202810

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 28562331) is [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate is O=C(COC(=O)Cc1c(F)cccc1Cl)NC(=O)NCCc1cccs1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is RWPGLHHPJJYEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O4S/c18-13-4-1-5-14(19)12(13)9-16(23)25-10-15(22)21-17(24)20-7-6-11-3-2-8-26-11/h1-5,8H,6-7,9-10H2,(H2,20,21,22,24).
What are the key properties of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 398.84 g/mol, XLogP of 2.69, 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-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 28562331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).