methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate

C15H15NO3S — CID 531391

IUPACmethyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cccs1
InChIInChI=1S/C15H15NO3S/c1-19-15(18)12(10-11-6-3-2-4-7-11)16-14(17)13-8-5-9-20-13/h2-9,12H,10H2,1H3,(H,16,17)
InChIKeyLIWKGUIEIXQWPB-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.26
Rot. Bonds5

About methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate

methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate (PubChem CID 531391) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
PubChem CID531391
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Namemethyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cccs1
InChIInChI=1S/C15H15NO3S/c1-19-15(18)12(10-11-6-3-2-4-7-11)16-14(17)13-8-5-9-20-13/h2-9,12H,10H2,1H3,(H,16,17)
InChIKeyLIWKGUIEIXQWPB-UHFFFAOYSA-N
XLogP2.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate (CID 531391) is methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate is COC(=O)C(Cc1ccccc1)NC(=O)c1cccs1.
What is the InChIKey of methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is LIWKGUIEIXQWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-19-15(18)12(10-11-6-3-2-4-7-11)16-14(17)13-8-5-9-20-13/h2-9,12H,10H2,1H3,(H,16,17).
What are the key properties of methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 289.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 531391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).