(2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate

C17H16N2O5S — CID 55484589

IUPAC(2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate
SMILESCC(NC(=O)c1cccs1)C(=O)OCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O5S/c1-11(18-16(22)13-8-5-9-25-13)17(23)24-10-14(20)19-15(21)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyMZCSTNARBPTGGW-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.37
Rot. Bonds6

About (2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate

(2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate (PubChem CID 55484589) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate
PubChem CID55484589
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name(2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate
SMILESCC(NC(=O)c1cccs1)C(=O)OCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O5S/c1-11(18-16(22)13-8-5-9-25-13)17(23)24-10-14(20)19-15(21)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyMZCSTNARBPTGGW-UHFFFAOYSA-N
XLogP1.37
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 97003900
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484501
[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 98409881
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484333
[4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate
CID 55484686
prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate
CID 97003904
[2-(N-benzylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484254
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484499
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 8556804
[(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 95572910
nonyl 2-(thiophene-2-carbonylamino)propanoate
CID 6422194

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate (CID 55484589) is (2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate is CC(NC(=O)c1cccs1)C(=O)OCC(=O)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is MZCSTNARBPTGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-11(18-16(22)13-8-5-9-25-13)17(23)24-10-14(20)19-15(21)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of (2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate?
(2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 360.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 55484589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).