phenacyl 2-(thiophene-2-carbonylamino)acetate

C15H13NO4S — CID 3116656

IUPACphenacyl 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1cccs1)OCC(=O)c1ccccc1
InChIInChI=1S/C15H13NO4S/c17-12(11-5-2-1-3-6-11)10-20-14(18)9-16-15(19)13-7-4-8-21-13/h1-8H,9-10H2,(H,16,19)
InChIKeyXOIIZLQUOFSASW-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.90
Rot. Bonds6

About phenacyl 2-(thiophene-2-carbonylamino)acetate

phenacyl 2-(thiophene-2-carbonylamino)acetate (PubChem CID 3116656) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is phenacyl 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Namephenacyl 2-(thiophene-2-carbonylamino)acetate
PubChem CID3116656
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Namephenacyl 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1cccs1)OCC(=O)c1ccccc1
InChIInChI=1S/C15H13NO4S/c17-12(11-5-2-1-3-6-11)10-20-14(18)9-16-15(19)13-7-4-8-21-13/h1-8H,9-10H2,(H,16,19)
InChIKeyXOIIZLQUOFSASW-UHFFFAOYSA-N
XLogP1.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenacyl 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of phenacyl 2-(thiophene-2-carbonylamino)acetate (CID 3116656) is phenacyl 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for phenacyl 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for phenacyl 2-(thiophene-2-carbonylamino)acetate is O=C(CNC(=O)c1cccs1)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is XOIIZLQUOFSASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c17-12(11-5-2-1-3-6-11)10-20-14(18)9-16-15(19)13-7-4-8-21-13/h1-8H,9-10H2,(H,16,19).
What are the key properties of phenacyl 2-(thiophene-2-carbonylamino)acetate?
phenacyl 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 303.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 3116656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).