ethyl 3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate

C13H13NO3S2 — CID 2999990

IUPACethyl 3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cccs2)cc1C
InChIInChI=1S/C13H13NO3S2/c1-3-17-13(16)11-8(2)7-10(19-11)14-12(15)9-5-4-6-18-9/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyJLBDMZOOUXVQRV-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.55
Rot. Bonds4

About ethyl 3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate

ethyl 3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate (PubChem CID 2999990) has the molecular formula C13H13NO3S2 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate
PubChem CID2999990
Molecular FormulaC13H13NO3S2
Molecular Weight295.38 g/mol
Exact Mass295.03
IUPAC Nameethyl 3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cccs2)cc1C
InChIInChI=1S/C13H13NO3S2/c1-3-17-13(16)11-8(2)7-10(19-11)14-12(15)9-5-4-6-18-9/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyJLBDMZOOUXVQRV-UHFFFAOYSA-N
XLogP3.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate (CID 2999990) is ethyl 3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2cccs2)cc1C.
What is the InChIKey of ethyl 3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate?
The InChIKey is JLBDMZOOUXVQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S2/c1-3-17-13(16)11-8(2)7-10(19-11)14-12(15)9-5-4-6-18-9/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate?
ethyl 3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 2999990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).