N-[(E)-1-(4-methylsulfanylphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide

C19H20N2O4S — CID 1316409

IUPACN-[(E)-1-(4-methylsulfanylphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCSc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O4S/c1-26-15-6-4-14(5-7-15)13-16(19(23)21-8-11-24-12-9-21)20-18(22)17-3-2-10-25-17/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,22)/b16-13+
InChIKeyCULMYGAKJGXMMI-DTQAZKPQSA-N
MW372.45 g/mol
LogP2.63
Rot. Bonds5

About N-[(E)-1-(4-methylsulfanylphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide

N-[(E)-1-(4-methylsulfanylphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 1316409) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(E)-1-(4-methylsulfanylphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-methylsulfanylphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID1316409
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[(E)-1-(4-methylsulfanylphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCSc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O4S/c1-26-15-6-4-14(5-7-15)13-16(19(23)21-8-11-24-12-9-21)20-18(22)17-3-2-10-25-17/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,22)/b16-13+
InChIKeyCULMYGAKJGXMMI-DTQAZKPQSA-N
XLogP2.63
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-methylsulfanylphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(E)-1-(4-methylsulfanylphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide (CID 1316409) is N-[(E)-1-(4-methylsulfanylphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-methylsulfanylphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(E)-1-(4-methylsulfanylphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide is CSc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(E)-1-(4-methylsulfanylphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is CULMYGAKJGXMMI-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-26-15-6-4-14(5-7-15)13-16(19(23)21-8-11-24-12-9-21)20-18(22)17-3-2-10-25-17/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,22)/b16-13+.
What are the key properties of N-[(E)-1-(4-methylsulfanylphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
N-[(E)-1-(4-methylsulfanylphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-methylsulfanylphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1316409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).