[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate

C19H16FNO3S2 — CID 9059987

IUPAC[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)NCc1cccs1
InChIInChI=1S/C19H16FNO3S2/c1-12(18(22)21-11-15-3-2-10-25-15)24-19(23)17-9-8-16(26-17)13-4-6-14(20)7-5-13/h2-10,12H,11H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyUKHWQYIEFAFQDM-GFCCVEGCSA-N
MW389.47 g/mol
LogP4.48
Rot. Bonds6

About [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate

[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate (PubChem CID 9059987) has the molecular formula C19H16FNO3S2 and a molecular weight of 389.47 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate
PubChem CID9059987
Molecular FormulaC19H16FNO3S2
Molecular Weight389.47 g/mol
Exact Mass389.06
IUPAC Name[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)NCc1cccs1
InChIInChI=1S/C19H16FNO3S2/c1-12(18(22)21-11-15-3-2-10-25-15)24-19(23)17-9-8-16(26-17)13-4-6-14(20)7-5-13/h2-10,12H,11H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyUKHWQYIEFAFQDM-GFCCVEGCSA-N
XLogP4.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate with MolForge

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Related Compounds

5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 35008485
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 9309649
(1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192454
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 9059999
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(trifluoromethyl)benzoate
CID 46629469
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8958733
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] furan-2-carboxylate
CID 651235
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-methylfuran-2-carboxylate
CID 47011570
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-hydroxy-5-methylbenzoate
CID 18091779
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 8577792
2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 42994656
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 8942013

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate (CID 9059987) is [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate is C[C@@H](OC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)NCc1cccs1.
What is the InChIKey of [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The InChIKey is UKHWQYIEFAFQDM-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H16FNO3S2/c1-12(18(22)21-11-15-3-2-10-25-15)24-19(23)17-9-8-16(26-17)13-4-6-14(20)7-5-13/h2-10,12H,11H2,1H3,(H,21,22)/t12-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate has a molecular weight of 389.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 9059987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).