[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate

C21H18N2O6S — CID 55358067

IUPAC[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)NC(=O)c1cccs1
InChIInChI=1S/C21H18N2O6S/c24-18(23-20(26)17-9-5-11-30-17)13-29-21(27)15(12-14-6-2-1-3-7-14)22-19(25)16-8-4-10-28-16/h1-11,15H,12-13H2,(H,22,25)(H,23,24,26)
InChIKeyCZGZXBAZLVXQIB-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.18
Rot. Bonds8

About [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate

[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 55358067) has the molecular formula C21H18N2O6S and a molecular weight of 426.45 g/mol. Its IUPAC name is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID55358067
Molecular FormulaC21H18N2O6S
Molecular Weight426.45 g/mol
Exact Mass426.09
IUPAC Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)NC(=O)c1cccs1
InChIInChI=1S/C21H18N2O6S/c24-18(23-20(26)17-9-5-11-30-17)13-29-21(27)15(12-14-6-2-1-3-7-14)22-19(25)16-8-4-10-28-16/h1-11,15H,12-13H2,(H,22,25)(H,23,24,26)
InChIKeyCZGZXBAZLVXQIB-UHFFFAOYSA-N
XLogP2.18
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567017
[2-(1,2-diphenylethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55929358
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55926961
[2-oxo-2-(propylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567045
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 98409881
(3,3-dimethyl-2-oxobutyl) (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2102828
[2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7858566
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 2398164
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 35417786
[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7030612
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 5109807

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 55358067) is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate is O=C(COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)NC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is CZGZXBAZLVXQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O6S/c24-18(23-20(26)17-9-5-11-30-17)13-29-21(27)15(12-14-6-2-1-3-7-14)22-19(25)16-8-4-10-28-16/h1-11,15H,12-13H2,(H,22,25)(H,23,24,26).
What are the key properties of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate?
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 426.45 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 55358067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).