[(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate

C20H16FNO3S — CID 1470265

IUPAC[(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(O[C@@H](C(=O)NCc1ccccc1)c1ccccc1F)c1cccs1
InChIInChI=1S/C20H16FNO3S/c21-16-10-5-4-9-15(16)18(25-20(24)17-11-6-12-26-17)19(23)22-13-14-7-2-1-3-8-14/h1-12,18H,13H2,(H,22,23)/t18-/m1/s1
InChIKeyHMEPXSTWFYSLGS-GOSISDBHSA-N
MW369.42 g/mol
LogP4.10
Rot. Bonds6

About [(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate

[(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 1470265) has the molecular formula C20H16FNO3S and a molecular weight of 369.42 g/mol. Its IUPAC name is [(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID1470265
Molecular FormulaC20H16FNO3S
Molecular Weight369.42 g/mol
Exact Mass369.08
IUPAC Name[(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(O[C@@H](C(=O)NCc1ccccc1)c1ccccc1F)c1cccs1
InChIInChI=1S/C20H16FNO3S/c21-16-10-5-4-9-15(16)18(25-20(24)17-11-6-12-26-17)19(23)22-13-14-7-2-1-3-8-14/h1-12,18H,13H2,(H,22,23)/t18-/m1/s1
InChIKeyHMEPXSTWFYSLGS-GOSISDBHSA-N
XLogP4.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 1470267
[2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
CID 24792279
[(1S)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 51686573
[(1S)-2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 1470241
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 46619463
[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1470122
[1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 3227610
N-benzylthiophene-2-carboxamide
CID 574227
[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 654711
[(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate
CID 7404259
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1431759
N-benzyl-2-oxo-2-thiophen-2-ylacetamide
CID 13301283

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate (CID 1470265) is [(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate is O=C(O[C@@H](C(=O)NCc1ccccc1)c1ccccc1F)c1cccs1.
What is the InChIKey of [(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is HMEPXSTWFYSLGS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H16FNO3S/c21-16-10-5-4-9-15(16)18(25-20(24)17-11-6-12-26-17)19(23)22-13-14-7-2-1-3-8-14/h1-12,18H,13H2,(H,22,23)/t18-/m1/s1.
What are the key properties of [(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate?
[(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 1470265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).