[2-oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate

C16H17NO3S — CID 3704975

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate
SMILESCC(NC(=O)COC(=O)Cc1ccsc1)c1ccccc1
InChIInChI=1S/C16H17NO3S/c1-12(14-5-3-2-4-6-14)17-15(18)10-20-16(19)9-13-7-8-21-11-13/h2-8,11-12H,9-10H2,1H3,(H,17,18)
InChIKeyVPWMYQRNYARQPC-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.71
Rot. Bonds6

About [2-oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate

[2-oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate (PubChem CID 3704975) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate
PubChem CID3704975
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate
SMILESCC(NC(=O)COC(=O)Cc1ccsc1)c1ccccc1
InChIInChI=1S/C16H17NO3S/c1-12(14-5-3-2-4-6-14)17-15(18)10-20-16(19)9-13-7-8-21-11-13/h2-8,11-12H,9-10H2,1H3,(H,17,18)
InChIKeyVPWMYQRNYARQPC-UHFFFAOYSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate 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-[(Thiophene-2-carbonyl)-amino]-acetylamino}-acetic acid 2-oxo-2-phenyl-ethyl ester
CID 1619081
[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-methylthiophene-2-carboxylate
CID 2099233
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2364508
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2413047
[(2-Phenylethyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2436450
Phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2578853
(2-Oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate
CID 3154684
2-(Benzylamino)-2-oxoethyl 3-methylthiophene-2-carboxylate
CID 3266695
2-Oxo-2-(2-thienyl)ethyl ({[(4-methylbenzoyl)amino]acetyl}amino)acetate
CID 1614532
(2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2097635
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338047
[2-(2,6-Diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338102

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate (CID 3704975) is [2-oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate is CC(NC(=O)COC(=O)Cc1ccsc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate?
The InChIKey is VPWMYQRNYARQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-12(14-5-3-2-4-6-14)17-15(18)10-20-16(19)9-13-7-8-21-11-13/h2-8,11-12H,9-10H2,1H3,(H,17,18).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate?
[2-oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate has a molecular weight of 303.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 3704975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).