ethyl 3-(thiophene-2-carbonylamino)benzoate

C14H13NO3S — CID 649213

IUPACethyl 3-(thiophene-2-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C14H13NO3S/c1-2-18-14(17)10-5-3-6-11(9-10)15-13(16)12-7-4-8-19-12/h3-9H,2H2,1H3,(H,15,16)
InChIKeyZFIDIYIMLCNQDQ-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.18
Rot. Bonds4

About ethyl 3-(thiophene-2-carbonylamino)benzoate

ethyl 3-(thiophene-2-carbonylamino)benzoate (PubChem CID 649213) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is ethyl 3-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(thiophene-2-carbonylamino)benzoate
PubChem CID649213
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Nameethyl 3-(thiophene-2-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C14H13NO3S/c1-2-18-14(17)10-5-3-6-11(9-10)15-13(16)12-7-4-8-19-12/h3-9H,2H2,1H3,(H,15,16)
InChIKeyZFIDIYIMLCNQDQ-UHFFFAOYSA-N
XLogP3.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of ethyl 3-(thiophene-2-carbonylamino)benzoate (CID 649213) is ethyl 3-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for ethyl 3-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for ethyl 3-(thiophene-2-carbonylamino)benzoate is CCOC(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of ethyl 3-(thiophene-2-carbonylamino)benzoate?
The InChIKey is ZFIDIYIMLCNQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-2-18-14(17)10-5-3-6-11(9-10)15-13(16)12-7-4-8-19-12/h3-9H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 3-(thiophene-2-carbonylamino)benzoate?
ethyl 3-(thiophene-2-carbonylamino)benzoate has a molecular weight of 275.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 649213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).