ethyl 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate

C14H15NO3S2 — CID 650856

IUPACethyl 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccs2)sc(C)c1C
InChIInChI=1S/C14H15NO3S2/c1-4-18-14(17)11-8(2)9(3)20-13(11)15-12(16)10-6-5-7-19-10/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyPZOGIWMIURSOPF-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.86
Rot. Bonds4

About ethyl 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate

ethyl 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 650856) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
PubChem CID650856
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Nameethyl 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccs2)sc(C)c1C
InChIInChI=1S/C14H15NO3S2/c1-4-18-14(17)11-8(2)9(3)20-13(11)15-12(16)10-6-5-7-19-10/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyPZOGIWMIURSOPF-UHFFFAOYSA-N
XLogP3.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate (CID 650856) is ethyl 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cccs2)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is PZOGIWMIURSOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-4-18-14(17)11-8(2)9(3)20-13(11)15-12(16)10-6-5-7-19-10/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of ethyl 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 650856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).