ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate

C13H15NO2S2 — CID 54895068

IUPACethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate
SMILESCCOC(=O)C(NCc1cccs1)c1ccsc1
InChIInChI=1S/C13H15NO2S2/c1-2-16-13(15)12(10-5-7-17-9-10)14-8-11-4-3-6-18-11/h3-7,9,12,14H,2,8H2,1H3
InChIKeyCFVQKLXPNSSVJA-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.20
Rot. Bonds6

About ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate

ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate (PubChem CID 54895068) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate
PubChem CID54895068
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC Nameethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate
SMILESCCOC(=O)C(NCc1cccs1)c1ccsc1
InChIInChI=1S/C13H15NO2S2/c1-2-16-13(15)12(10-5-7-17-9-10)14-8-11-4-3-6-18-11/h3-7,9,12,14H,2,8H2,1H3
InChIKeyCFVQKLXPNSSVJA-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate 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

ethyl 2-(ethylamino)-2-thiophen-3-ylacetate
CID 60785866
ethyl 2-(4-fluoro-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 62121692
ethyl 2-(3-bromo-4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 83233271
ethyl 2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 114453685
ethyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetate
CID 102840934
ethyl 3-methyl-2-(thiophen-2-ylmethylamino)pentanoate
CID 61319361
ethyl 2-(thiophen-2-ylmethylamino)hexanoate
CID 61353160
ethyl 2-(2-bromo-5-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 66156855
ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate
CID 54889988
ethyl 2-(thiophen-2-ylmethylamino)heptanoate
CID 54895021
ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate
CID 61310739
methyl 2-(4-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetate
CID 61345410

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate?
The IUPAC name of ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate (CID 54895068) is ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate.
What is the SMILES notation for ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate?
The canonical SMILES for ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate is CCOC(=O)C(NCc1cccs1)c1ccsc1.
What is the InChIKey of ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate?
The InChIKey is CFVQKLXPNSSVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-2-16-13(15)12(10-5-7-17-9-10)14-8-11-4-3-6-18-11/h3-7,9,12,14H,2,8H2,1H3.
What are the key properties of ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate?
ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate has a molecular weight of 281.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate is sourced from PubChem (CID 54895068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).