ethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate

C17H20N2O4S2 — CID 1190260

IUPACethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCOCC1
InChIInChI=1S/C17H20N2O4S2/c1-2-23-17(21)15-12(13-4-3-9-24-13)11-25-16(15)18-14(20)10-19-5-7-22-8-6-19/h3-4,9,11H,2,5-8,10H2,1H3,(H,18,20)
InChIKeyKMIPWJVRZJVEDC-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.92
Rot. Bonds6

About ethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate

ethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate (PubChem CID 1190260) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
PubChem CID1190260
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Nameethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCOCC1
InChIInChI=1S/C17H20N2O4S2/c1-2-23-17(21)15-12(13-4-3-9-24-13)11-25-16(15)18-14(20)10-19-5-7-22-8-6-19/h3-4,9,11H,2,5-8,10H2,1H3,(H,18,20)
InChIKeyKMIPWJVRZJVEDC-UHFFFAOYSA-N
XLogP2.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate (CID 1190260) is ethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate is CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCOCC1.
What is the InChIKey of ethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate?
The InChIKey is KMIPWJVRZJVEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-2-23-17(21)15-12(13-4-3-9-24-13)11-25-16(15)18-14(20)10-19-5-7-22-8-6-19/h3-4,9,11H,2,5-8,10H2,1H3,(H,18,20).
What are the key properties of ethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate?
ethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 1190260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).