ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate

C14H22N2O3S — CID 60636693

IUPACethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C14H22N2O3S/c1-4-19-14(18)8-7-13(17)15-10-11(16(2)3)12-6-5-9-20-12/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,15,17)
InChIKeyTYZCHXXKDYLNIF-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.81
Rot. Bonds8

About ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate

ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate (PubChem CID 60636693) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate
PubChem CID60636693
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Nameethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C14H22N2O3S/c1-4-19-14(18)8-7-13(17)15-10-11(16(2)3)12-6-5-9-20-12/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,15,17)
InChIKeyTYZCHXXKDYLNIF-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate 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

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate
CID 60638012
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 4808882
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 43006707
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
3-(cyclopropylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 61274579
N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide
CID 18161704
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methoxyethoxy)acetamide
CID 103606863
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
CID 46685783

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate (CID 60636693) is ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)NCC(c1cccs1)N(C)C.
What is the InChIKey of ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate?
The InChIKey is TYZCHXXKDYLNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-19-14(18)8-7-13(17)15-10-11(16(2)3)12-6-5-9-20-12/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,15,17).
What are the key properties of ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate?
ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate has a molecular weight of 298.41 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate is sourced from PubChem (CID 60636693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).