ethyl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate

C15H17NO3S2 — CID 868688

IUPACethyl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccs2)sc(C)c1CC
InChIInChI=1S/C15H17NO3S2/c1-4-10-9(3)21-14(12(10)15(18)19-5-2)16-13(17)11-7-6-8-20-11/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyMNIRUSQTAOVRIE-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.11
Rot. Bonds5

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

ethyl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 868688) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is ethyl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
PubChem CID868688
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Nameethyl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccs2)sc(C)c1CC
InChIInChI=1S/C15H17NO3S2/c1-4-10-9(3)21-14(12(10)15(18)19-5-2)16-13(17)11-7-6-8-20-11/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyMNIRUSQTAOVRIE-UHFFFAOYSA-N
XLogP4.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate (CID 868688) is ethyl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cccs2)sc(C)c1CC.
What is the InChIKey of ethyl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is MNIRUSQTAOVRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-4-10-9(3)21-14(12(10)15(18)19-5-2)16-13(17)11-7-6-8-20-11/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of ethyl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
ethyl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 323.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 868688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).