[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate

C17H13F3N2O5S — CID 55423830

IUPAC[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1cccs1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C17H13F3N2O5S/c18-17(19,20)9-21-16(26)22-13(23)8-27-15(25)11-5-2-1-4-10(11)14(24)12-6-3-7-28-12/h1-7H,8-9H2,(H2,21,22,23,26)
InChIKeyOURHHWUYVZRURW-UHFFFAOYSA-N
MW414.36 g/mol
LogP2.52
Rot. Bonds6

About [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate (PubChem CID 55423830) has the molecular formula C17H13F3N2O5S and a molecular weight of 414.36 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
PubChem CID55423830
Molecular FormulaC17H13F3N2O5S
Molecular Weight414.36 g/mol
Exact Mass414.05
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1cccs1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C17H13F3N2O5S/c18-17(19,20)9-21-16(26)22-13(23)8-27-15(25)11-5-2-1-4-10(11)14(24)12-6-3-7-28-12/h1-7H,8-9H2,(H2,21,22,23,26)
InChIKeyOURHHWUYVZRURW-UHFFFAOYSA-N
XLogP2.52
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55386197
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-nitrobenzoate
CID 26726755
(2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate
CID 18151557
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55367076
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate
CID 27324774
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1H-indazole-3-carboxylate
CID 40665688
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate
CID 55537612
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 4-iodobenzoate
CID 26734941
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 2503502
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621703
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 4-(hydroxymethyl)benzoate
CID 8737123
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] naphthalene-1-carboxylate
CID 2445194

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate (CID 55423830) is [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate is O=C(COC(=O)c1ccccc1C(=O)c1cccs1)NC(=O)NCC(F)(F)F.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate?
The InChIKey is OURHHWUYVZRURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O5S/c18-17(19,20)9-21-16(26)22-13(23)8-27-15(25)11-5-2-1-4-10(11)14(24)12-6-3-7-28-12/h1-7H,8-9H2,(H2,21,22,23,26).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate?
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate has a molecular weight of 414.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate is sourced from PubChem (CID 55423830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).