[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate

C24H25NO4S — CID 8956999

IUPAC[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate
SMILESCCOC(C(=O)OCC(=O)NCCc1cccs1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO4S/c1-2-29-24(19-10-5-3-6-11-19,20-12-7-4-8-13-20)23(27)28-18-22(26)25-16-15-21-14-9-17-30-21/h3-14,17H,2,15-16,18H2,1H3,(H,25,26)
InChIKeySYSZXAPZGNGHML-UHFFFAOYSA-N
MW423.53 g/mol
LogP3.93
Rot. Bonds10

About [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate (PubChem CID 8956999) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate
PubChem CID8956999
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate
SMILESCCOC(C(=O)OCC(=O)NCCc1cccs1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO4S/c1-2-29-24(19-10-5-3-6-11-19,20-12-7-4-8-13-20)23(27)28-18-22(26)25-16-15-21-14-9-17-30-21/h3-14,17H,2,15-16,18H2,1H3,(H,25,26)
InChIKeySYSZXAPZGNGHML-UHFFFAOYSA-N
XLogP3.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157089
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(trifluoromethyl)benzoate
CID 7603968
3,3-dimethyl-5-oxo-5-(2-thiophen-2-ylethylamino)pentanoic acid
CID 62934552
ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate
CID 43445634
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 16562405
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate
CID 7683796
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate
CID 8936148
4-amino-3,3-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157405
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate
CID 8861267
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449145

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate (CID 8956999) is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate is CCOC(C(=O)OCC(=O)NCCc1cccs1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate?
The InChIKey is SYSZXAPZGNGHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-2-29-24(19-10-5-3-6-11-19,20-12-7-4-8-13-20)23(27)28-18-22(26)25-16-15-21-14-9-17-30-21/h3-14,17H,2,15-16,18H2,1H3,(H,25,26).
What are the key properties of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate?
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate has a molecular weight of 423.53 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate is sourced from PubChem (CID 8956999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).