[(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate

C20H15F2NO3S — CID 1470267

IUPAC[(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(O[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1F)c1cccs1
InChIInChI=1S/C20H15F2NO3S/c21-14-9-7-13(8-10-14)12-23-19(24)18(15-4-1-2-5-16(15)22)26-20(25)17-6-3-11-27-17/h1-11,18H,12H2,(H,23,24)/t18-/m0/s1
InChIKeyNNGHNFUUWAWQHN-SFHVURJKSA-N
MW387.41 g/mol
LogP4.24
Rot. Bonds6

About [(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate

[(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 1470267) has the molecular formula C20H15F2NO3S and a molecular weight of 387.41 g/mol. Its IUPAC name is [(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
PubChem CID1470267
Molecular FormulaC20H15F2NO3S
Molecular Weight387.41 g/mol
Exact Mass387.07
IUPAC Name[(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(O[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1F)c1cccs1
InChIInChI=1S/C20H15F2NO3S/c21-14-9-7-13(8-10-14)12-23-19(24)18(15-4-1-2-5-16(15)22)26-20(25)17-6-3-11-27-17/h1-11,18H,12H2,(H,23,24)/t18-/m0/s1
InChIKeyNNGHNFUUWAWQHN-SFHVURJKSA-N
XLogP4.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 1470265
[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1470122
[(1S)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 51686573
[2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
CID 24792279
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonyl)benzoate
CID 8970628
[1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 3227610
[(1S)-2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 1470241
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1431759
[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate
CID 1470258
[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1470123
[(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate
CID 1470171
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 46619463

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate (CID 1470267) is [(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate is O=C(O[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1F)c1cccs1.
What is the InChIKey of [(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is NNGHNFUUWAWQHN-SFHVURJKSA-N. The full InChI is InChI=1S/C20H15F2NO3S/c21-14-9-7-13(8-10-14)12-23-19(24)18(15-4-1-2-5-16(15)22)26-20(25)17-6-3-11-27-17/h1-11,18H,12H2,(H,23,24)/t18-/m0/s1.
What are the key properties of [(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate?
[(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 387.41 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 1470267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).