ethyl 5-ethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylate

C15H17NO3S2 — CID 2365321

IUPACethyl 5-ethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)Cc1ccsc1
InChIInChI=1S/C15H17NO3S2/c1-3-11-8-12(15(18)19-4-2)14(21-11)16-13(17)7-10-5-6-20-9-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyXTZHOEYBKXSCDK-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.73
Rot. Bonds6

About ethyl 5-ethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylate (PubChem CID 2365321) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylate
PubChem CID2365321
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Nameethyl 5-ethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)Cc1ccsc1
InChIInChI=1S/C15H17NO3S2/c1-3-11-8-12(15(18)19-4-2)14(21-11)16-13(17)7-10-5-6-20-9-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyXTZHOEYBKXSCDK-UHFFFAOYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylate (CID 2365321) is ethyl 5-ethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)Cc1ccsc1.
What is the InChIKey of ethyl 5-ethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylate?
The InChIKey is XTZHOEYBKXSCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-3-11-8-12(15(18)19-4-2)14(21-11)16-13(17)7-10-5-6-20-9-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of ethyl 5-ethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylate has a molecular weight of 323.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 2365321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).