ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate

C14H21NO3S — CID 78962055

IUPACethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C14H21NO3S/c1-4-18-13(17)8-7-12(16)15-10-14(2,3)11-6-5-9-19-11/h5-6,9H,4,7-8,10H2,1-3H3,(H,15,16)
InChIKeyFPNFLEOTYYGOSZ-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.49
Rot. Bonds7

About ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate

ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate (PubChem CID 78962055) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate
PubChem CID78962055
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Nameethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C14H21NO3S/c1-4-18-13(17)8-7-12(16)15-10-14(2,3)11-6-5-9-19-11/h5-6,9H,4,7-8,10H2,1-3H3,(H,15,16)
InChIKeyFPNFLEOTYYGOSZ-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)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

ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
CID 78963918
5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide
CID 80527343
ethyl 7-[[N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)carbamimidoyl]amino]heptanoate
CID 111582016
N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide
CID 113236235
N-(2-methyl-2-thiophen-2-ylpropyl)-N'-(2,2,2-trifluoroethyl)propanediamide
CID 75451079
2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 81312766
2-(1-aminocyclobutyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 80527308
2-(2-hydroxyphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 78963260
2-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide;hydrochloride
CID 119787670
ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate
CID 60636693
1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea
CID 115627643
4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
CID 115157160

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate (CID 78962055) is ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)NCC(C)(C)c1cccs1.
What is the InChIKey of ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate?
The InChIKey is FPNFLEOTYYGOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-18-13(17)8-7-12(16)15-10-14(2,3)11-6-5-9-19-11/h5-6,9H,4,7-8,10H2,1-3H3,(H,15,16).
What are the key properties of ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate?
ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate has a molecular weight of 283.39 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate is sourced from PubChem (CID 78962055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).