ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate

C14H15NO3S2 — CID 166273196

IUPACethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C14H15NO3S2/c1-2-18-14(17)13(16)15(9-11-5-3-7-19-11)10-12-6-4-8-20-12/h3-8H,2,9-10H2,1H3
InChIKeyWJYDNYLDTBQFOR-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.90
Rot. Bonds5

About ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate

ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate (PubChem CID 166273196) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
PubChem CID166273196
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Nameethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C14H15NO3S2/c1-2-18-14(17)13(16)15(9-11-5-3-7-19-11)10-12-6-4-8-20-12/h3-8H,2,9-10H2,1H3
InChIKeyWJYDNYLDTBQFOR-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate 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

[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
ethyl N-phenyl-N-(thiophen-2-ylmethyl)carbamate
CID 91149975
ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate
CID 62027701
2-amino-N-[(Z)-2-ethoxybut-2-enyl]-N-(thiophen-2-ylmethyl)acetamide;benzene;molecular hydrogen
CID 144991813
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271767
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759
1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 116654591
3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 62834920
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 103602479

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate (CID 166273196) is ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate is CCOC(=O)C(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate?
The InChIKey is WJYDNYLDTBQFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-2-18-14(17)13(16)15(9-11-5-3-7-19-11)10-12-6-4-8-20-12/h3-8H,2,9-10H2,1H3.
What are the key properties of ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate?
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate has a molecular weight of 309.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate is sourced from PubChem (CID 166273196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).