[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate

C18H20N2O4S — CID 8878447

IUPAC[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate
SMILESCCNC(=O)NC(=O)[C@@H](OC(=O)c1cc(C)sc1C)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-4-19-18(23)20-16(21)15(13-8-6-5-7-9-13)24-17(22)14-10-11(2)25-12(14)3/h5-10,15H,4H2,1-3H3,(H2,19,20,21,23)/t15-/m0/s1
InChIKeyKVGPJHFYCDXIIS-HNNXBMFYSA-N
MW360.44 g/mol
LogP3.11
Rot. Bonds5

About [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate

[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate (PubChem CID 8878447) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate
PubChem CID8878447
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate
SMILESCCNC(=O)NC(=O)[C@@H](OC(=O)c1cc(C)sc1C)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-4-19-18(23)20-16(21)15(13-8-6-5-7-9-13)24-17(22)14-10-11(2)25-12(14)3/h5-10,15H,4H2,1-3H3,(H2,19,20,21,23)/t15-/m0/s1
InChIKeyKVGPJHFYCDXIIS-HNNXBMFYSA-N
XLogP3.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate 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

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethylbenzoate
CID 8647828
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,3-dimethylbenzoate
CID 7765259
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-fluorobenzoate
CID 7864310
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-methylthiophene-2-carboxylate
CID 7837729
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-methylthiophene-2-carboxylate
CID 7837730
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylsulfanylbenzoate
CID 8526571
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 7785331
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate
CID 7351543
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate
CID 8708894
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-hydroxy-5-methoxybenzoate
CID 33278355
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-amino-4-fluorobenzoate
CID 55424594
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate
CID 7851438

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate?
The IUPAC name of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate (CID 8878447) is [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate is CCNC(=O)NC(=O)[C@@H](OC(=O)c1cc(C)sc1C)c1ccccc1.
What is the InChIKey of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate?
The InChIKey is KVGPJHFYCDXIIS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-4-19-18(23)20-16(21)15(13-8-6-5-7-9-13)24-17(22)14-10-11(2)25-12(14)3/h5-10,15H,4H2,1-3H3,(H2,19,20,21,23)/t15-/m0/s1.
What are the key properties of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate?
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate has a molecular weight of 360.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 8878447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).