[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate

C21H16ClNO4S — CID 40729463

IUPAC[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1cccs1)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClNO4S/c22-16-10-8-15(9-11-16)20(19(25)14-5-2-1-3-6-14)27-18(24)13-23-21(26)17-7-4-12-28-17/h1-12,20H,13H2,(H,23,26)/t20-/m1/s1
InChIKeyHDZLYOHQNQMPOX-HXUWFJFHSA-N
MW413.88 g/mol
LogP4.30
Rot. Bonds7

About [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate

[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate (PubChem CID 40729463) has the molecular formula C21H16ClNO4S and a molecular weight of 413.88 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate
PubChem CID40729463
Molecular FormulaC21H16ClNO4S
Molecular Weight413.88 g/mol
Exact Mass413.05
IUPAC Name[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1cccs1)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClNO4S/c22-16-10-8-15(9-11-16)20(19(25)14-5-2-1-3-6-14)27-18(24)13-23-21(26)17-7-4-12-28-17/h1-12,20H,13H2,(H,23,26)/t20-/m1/s1
InChIKeyHDZLYOHQNQMPOX-HXUWFJFHSA-N
XLogP4.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 4556950
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate
CID 40579917
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808145
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 94290696
[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate
CID 849635
[(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonylamino)acetate
CID 41259386
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate
CID 5023536
(2-oxo-1,2-diphenylethyl) 3-acetamido-3-(4-chlorophenyl)propanoate
CID 43030545
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41330698
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7889617
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate
CID 126184580
(2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate
CID 42963752

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate (CID 40729463) is [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate is O=C(CNC(=O)c1cccs1)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is HDZLYOHQNQMPOX-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H16ClNO4S/c22-16-10-8-15(9-11-16)20(19(25)14-5-2-1-3-6-14)27-18(24)13-23-21(26)17-7-4-12-28-17/h1-12,20H,13H2,(H,23,26)/t20-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate?
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 413.88 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 40729463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).