methyl 2-[2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enyl]amino]phenyl]acetate

C20H24N2O3S — CID 71029939

IUPACmethyl 2-[2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cc(NC/C=C/c2cccs2)ccc1N1CCOCC1
InChIInChI=1S/C20H24N2O3S/c1-24-20(23)15-16-14-17(21-8-2-4-18-5-3-13-26-18)6-7-19(16)22-9-11-25-12-10-22/h2-7,13-14,21H,8-12,15H2,1H3/b4-2+
InChIKeyOLNVEBYDCGLOKF-DUXPYHPUSA-N
MW372.49 g/mol
LogP3.43
Rot. Bonds7

About methyl 2-[2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enyl]amino]phenyl]acetate

methyl 2-[2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enyl]amino]phenyl]acetate (PubChem CID 71029939) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is methyl 2-[2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enyl]amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enyl]amino]phenyl]acetate
PubChem CID71029939
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Namemethyl 2-[2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cc(NC/C=C/c2cccs2)ccc1N1CCOCC1
InChIInChI=1S/C20H24N2O3S/c1-24-20(23)15-16-14-17(21-8-2-4-18-5-3-13-26-18)6-7-19(16)22-9-11-25-12-10-22/h2-7,13-14,21H,8-12,15H2,1H3/b4-2+
InChIKeyOLNVEBYDCGLOKF-DUXPYHPUSA-N
XLogP3.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.43
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 methyl 2-[2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enyl]amino]phenyl]acetate?
The IUPAC name of methyl 2-[2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enyl]amino]phenyl]acetate (CID 71029939) is methyl 2-[2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enyl]amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enyl]amino]phenyl]acetate?
The canonical SMILES for methyl 2-[2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enyl]amino]phenyl]acetate is COC(=O)Cc1cc(NC/C=C/c2cccs2)ccc1N1CCOCC1.
What is the InChIKey of methyl 2-[2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enyl]amino]phenyl]acetate?
The InChIKey is OLNVEBYDCGLOKF-DUXPYHPUSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-24-20(23)15-16-14-17(21-8-2-4-18-5-3-13-26-18)6-7-19(16)22-9-11-25-12-10-22/h2-7,13-14,21H,8-12,15H2,1H3/b4-2+.
What are the key properties of methyl 2-[2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enyl]amino]phenyl]acetate?
methyl 2-[2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enyl]amino]phenyl]acetate has a molecular weight of 372.49 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enyl]amino]phenyl]acetate is sourced from PubChem (CID 71029939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).