[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate

C19H14O3S — CID 849635

IUPAC[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate
SMILESO=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C19H14O3S/c20-17(14-8-3-1-4-9-14)18(15-10-5-2-6-11-15)22-19(21)16-12-7-13-23-16/h1-13,18H/t18-/m0/s1
InChIKeyQPGWMWCEIKSFHQ-SFHVURJKSA-N
MW322.39 g/mol
LogP4.53
Rot. Bonds5

About [(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate

[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate (PubChem CID 849635) has the molecular formula C19H14O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is [(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate
PubChem CID849635
Molecular FormulaC19H14O3S
Molecular Weight322.39 g/mol
Exact Mass322.07
IUPAC Name[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate
SMILESO=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C19H14O3S/c20-17(14-8-3-1-4-9-14)18(15-10-5-2-6-11-15)22-19(21)16-12-7-13-23-16/h1-13,18H/t18-/m0/s1
InChIKeyQPGWMWCEIKSFHQ-SFHVURJKSA-N
XLogP4.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 7759957
(2-oxo-1-phenylpropyl) thiophene-2-carboxylate
CID 134968020
(1-oxo-1-phenylpentan-2-yl) thiophene-2-carboxylate
CID 175494828
[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 7759895
(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate
CID 17446175
[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 654711
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate
CID 40729463
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
benzoyl thiophene-2-carboxylate
CID 174319053
(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
CID 23855920
(2-oxo-1,2-diphenylethyl) 2,2,2-trichloroacetate
CID 101263955

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate?
The IUPAC name of [(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate (CID 849635) is [(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate.
What is the SMILES notation for [(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate?
The canonical SMILES for [(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate is O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cccs1.
What is the InChIKey of [(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate?
The InChIKey is QPGWMWCEIKSFHQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H14O3S/c20-17(14-8-3-1-4-9-14)18(15-10-5-2-6-11-15)22-19(21)16-12-7-13-23-16/h1-13,18H/t18-/m0/s1.
What are the key properties of [(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate?
[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate has a molecular weight of 322.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate is sourced from PubChem (CID 849635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).