ethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate

C18H20N2O4S — CID 3163308

IUPACethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCOCC1
InChIInChI=1S/C18H20N2O4S/c1-2-24-18(22)14-12-13(19-17(21)16-4-3-11-25-16)5-6-15(14)20-7-9-23-10-8-20/h3-6,11-12H,2,7-10H2,1H3,(H,19,21)
InChIKeyNAHWMKNJZFEDEX-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.01
Rot. Bonds5

About ethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate

ethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate (PubChem CID 3163308) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is ethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate
PubChem CID3163308
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Nameethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCOCC1
InChIInChI=1S/C18H20N2O4S/c1-2-24-18(22)14-12-13(19-17(21)16-4-3-11-25-16)5-6-15(14)20-7-9-23-10-8-20/h3-6,11-12H,2,7-10H2,1H3,(H,19,21)
InChIKeyNAHWMKNJZFEDEX-UHFFFAOYSA-N
XLogP3.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of ethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate (CID 3163308) is ethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for ethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for ethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate is CCOC(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCOCC1.
What is the InChIKey of ethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate?
The InChIKey is NAHWMKNJZFEDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-2-24-18(22)14-12-13(19-17(21)16-4-3-11-25-16)5-6-15(14)20-7-9-23-10-8-20/h3-6,11-12H,2,7-10H2,1H3,(H,19,21).
What are the key properties of ethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate?
ethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate has a molecular weight of 360.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 3163308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).