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

C17H18N2O4S — CID 7799353

IUPAC[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate
SMILESCCNC(=O)NC(=O)[C@H](OC(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C17H18N2O4S/c1-2-18-17(22)19-16(21)15(12-7-4-3-5-8-12)23-14(20)11-13-9-6-10-24-13/h3-10,15H,2,11H2,1H3,(H2,18,19,21,22)/t15-/m1/s1
InChIKeyCPXFVYLRMDKFCU-OAHLLOKOSA-N
MW346.41 g/mol
LogP2.42
Rot. Bonds6

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

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate (PubChem CID 7799353) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate
PubChem CID7799353
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate
SMILESCCNC(=O)NC(=O)[C@H](OC(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C17H18N2O4S/c1-2-18-17(22)19-16(21)15(12-7-4-3-5-8-12)23-14(20)11-13-9-6-10-24-13/h3-10,15H,2,11H2,1H3,(H2,18,19,21,22)/t15-/m1/s1
InChIKeyCPXFVYLRMDKFCU-OAHLLOKOSA-N
XLogP2.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate
CID 7851438
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7810050
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)acetate
CID 55358992
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-hydroxyphenyl)acetate
CID 8672082
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2,6-dichlorophenyl)acetate
CID 7767333
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-thiophen-2-ylpropanoate
CID 8533898
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7697638
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-thiophen-2-ylbutanoate
CID 7962901
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-methylthiophene-2-carboxylate
CID 7837730
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-methylthiophene-2-carboxylate
CID 7837729
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270601
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750970

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate?
The IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate (CID 7799353) is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate.
What is the SMILES notation for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate?
The canonical SMILES for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate is CCNC(=O)NC(=O)[C@H](OC(=O)Cc1cccs1)c1ccccc1.
What is the InChIKey of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate?
The InChIKey is CPXFVYLRMDKFCU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-2-18-17(22)19-16(21)15(12-7-4-3-5-8-12)23-14(20)11-13-9-6-10-24-13/h3-10,15H,2,11H2,1H3,(H2,18,19,21,22)/t15-/m1/s1.
What are the key properties of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate?
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate has a molecular weight of 346.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate is sourced from PubChem (CID 7799353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).