[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate

C19H20N2O5S — CID 7810050

IUPAC[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCCNC(=O)NC(=O)[C@H](OC(=O)CCC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C19H20N2O5S/c1-2-20-19(25)21-18(24)17(13-7-4-3-5-8-13)26-16(23)11-10-14(22)15-9-6-12-27-15/h3-9,12,17H,2,10-11H2,1H3,(H2,20,21,24,25)/t17-/m1/s1
InChIKeyCWJFLEKNGDAJOD-QGZVFWFLSA-N
MW388.45 g/mol
LogP2.84
Rot. Bonds8

About [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate (PubChem CID 7810050) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
PubChem CID7810050
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCCNC(=O)NC(=O)[C@H](OC(=O)CCC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C19H20N2O5S/c1-2-20-19(25)21-18(24)17(13-7-4-3-5-8-13)26-16(23)11-10-14(22)15-9-6-12-27-15/h3-9,12,17H,2,10-11H2,1H3,(H2,20,21,24,25)/t17-/m1/s1
InChIKeyCWJFLEKNGDAJOD-QGZVFWFLSA-N
XLogP2.84
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate
CID 7799353
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750970
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 55390691
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate
CID 7851438
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7799598
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7213113
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808145
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 7875023
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 46811429
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)acetate
CID 55358992
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7697638
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270601

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate (CID 7810050) is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate.
What is the SMILES notation for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The canonical SMILES for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate is CCNC(=O)NC(=O)[C@H](OC(=O)CCC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The InChIKey is CWJFLEKNGDAJOD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-2-20-19(25)21-18(24)17(13-7-4-3-5-8-13)26-16(23)11-10-14(22)15-9-6-12-27-15/h3-9,12,17H,2,10-11H2,1H3,(H2,20,21,24,25)/t17-/m1/s1.
What are the key properties of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate?
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate has a molecular weight of 388.45 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate is sourced from PubChem (CID 7810050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).