(2-oxo-2-thiophen-2-ylethyl) 2-[(2,2-diphenylacetyl)amino]acetate

C22H19NO4S — CID 3154680

IUPAC(2-oxo-2-thiophen-2-ylethyl) 2-[(2,2-diphenylacetyl)amino]acetate
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCC(=O)c1cccs1
InChIInChI=1S/C22H19NO4S/c24-18(19-12-7-13-28-19)15-27-20(25)14-23-22(26)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,21H,14-15H2,(H,23,26)
InChIKeyAOOXRQICLYSGKU-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.42
Rot. Bonds8

About (2-oxo-2-thiophen-2-ylethyl) 2-[(2,2-diphenylacetyl)amino]acetate

(2-oxo-2-thiophen-2-ylethyl) 2-[(2,2-diphenylacetyl)amino]acetate (PubChem CID 3154680) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 2-[(2,2-diphenylacetyl)amino]acetate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 2-[(2,2-diphenylacetyl)amino]acetate
PubChem CID3154680
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 2-[(2,2-diphenylacetyl)amino]acetate
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCC(=O)c1cccs1
InChIInChI=1S/C22H19NO4S/c24-18(19-12-7-13-28-19)15-27-20(25)14-23-22(26)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,21H,14-15H2,(H,23,26)
InChIKeyAOOXRQICLYSGKU-UHFFFAOYSA-N
XLogP3.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

{2-[(Thiophene-2-carbonyl)-amino]-acetylamino}-acetic acid 2-oxo-2-phenyl-ethyl ester
CID 1619081
Phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2578853
(2-Oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate
CID 3154684
[1-(4-Fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220334
2-Oxo-2-(2-thienyl)ethyl ({[(4-methylbenzoyl)amino]acetyl}amino)acetate
CID 1614532
(2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2097635
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 4310744
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4544969
[2-(5-Methylthiophen-2-yl)-2-oxoethyl] 2-benzamidoacetate
CID 8246087
[(Thiophene-2-carbonyl)-amino]-acetic acid 2-oxo-2-phenyl-ethyl ester
CID 3116656
[2-Oxo-2-(2-phenylethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2103833
[2-(Benzylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2465528

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-[(2,2-diphenylacetyl)amino]acetate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-[(2,2-diphenylacetyl)amino]acetate (CID 3154680) is (2-oxo-2-thiophen-2-ylethyl) 2-[(2,2-diphenylacetyl)amino]acetate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 2-[(2,2-diphenylacetyl)amino]acetate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 2-[(2,2-diphenylacetyl)amino]acetate is O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCC(=O)c1cccs1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 2-[(2,2-diphenylacetyl)amino]acetate?
The InChIKey is AOOXRQICLYSGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4S/c24-18(19-12-7-13-28-19)15-27-20(25)14-23-22(26)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,21H,14-15H2,(H,23,26).
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 2-[(2,2-diphenylacetyl)amino]acetate?
(2-oxo-2-thiophen-2-ylethyl) 2-[(2,2-diphenylacetyl)amino]acetate has a molecular weight of 393.46 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) 2-[(2,2-diphenylacetyl)amino]acetate is sourced from PubChem (CID 3154680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).