[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate

C19H20N2O5S — CID 8662447

IUPAC[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C19H20N2O5S/c1-13(22)15(10-14-6-3-2-4-7-14)21-17(23)12-26-18(24)11-20-19(25)16-8-5-9-27-16/h2-9,15H,10-12H2,1H3,(H,20,25)(H,21,23)/t15-/m0/s1
InChIKeyZCOSBZWTQACDFH-HNNXBMFYSA-N
MW388.45 g/mol
LogP1.34
Rot. Bonds9

About [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate

[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate (PubChem CID 8662447) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate
PubChem CID8662447
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C19H20N2O5S/c1-13(22)15(10-14-6-3-2-4-7-14)21-17(23)12-26-18(24)11-20-19(25)16-8-5-9-27-16/h2-9,15H,10-12H2,1H3,(H,20,25)(H,21,23)/t15-/m0/s1
InChIKeyZCOSBZWTQACDFH-HNNXBMFYSA-N
XLogP1.34
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)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

[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662200
[2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7807951
(3,3-dimethyl-2-oxobutyl) (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2102828
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662212
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808026
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-fluorophenoxy)acetate
CID 9140307
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] (E)-but-2-enoate
CID 7981212
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7519386
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662292
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923894

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate (CID 8662447) is [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate is CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CNC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is ZCOSBZWTQACDFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-13(22)15(10-14-6-3-2-4-7-14)21-17(23)12-26-18(24)11-20-19(25)16-8-5-9-27-16/h2-9,15H,10-12H2,1H3,(H,20,25)(H,21,23)/t15-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate?
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 388.45 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 8662447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).