N-[(E)-1-phenylbut-1-en-2-yl]sulfonylmorpholine-4-carboxamide

C15H20N2O4S — CID 22750919

IUPACN-[(E)-1-phenylbut-1-en-2-yl]sulfonylmorpholine-4-carboxamide
SMILESCC/C(=C\c1ccccc1)S(=O)(=O)NC(=O)N1CCOCC1
InChIInChI=1S/C15H20N2O4S/c1-2-14(12-13-6-4-3-5-7-13)22(19,20)16-15(18)17-8-10-21-11-9-17/h3-7,12H,2,8-11H2,1H3,(H,16,18)/b14-12+
InChIKeyZYWUCXYUJIVFOH-WYMLVPIESA-N
MW324.40 g/mol
LogP1.81
Rot. Bonds4

About N-[(E)-1-phenylbut-1-en-2-yl]sulfonylmorpholine-4-carboxamide

N-[(E)-1-phenylbut-1-en-2-yl]sulfonylmorpholine-4-carboxamide (PubChem CID 22750919) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[(E)-1-phenylbut-1-en-2-yl]sulfonylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-phenylbut-1-en-2-yl]sulfonylmorpholine-4-carboxamide
PubChem CID22750919
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-[(E)-1-phenylbut-1-en-2-yl]sulfonylmorpholine-4-carboxamide
SMILESCC/C(=C\c1ccccc1)S(=O)(=O)NC(=O)N1CCOCC1
InChIInChI=1S/C15H20N2O4S/c1-2-14(12-13-6-4-3-5-7-13)22(19,20)16-15(18)17-8-10-21-11-9-17/h3-7,12H,2,8-11H2,1H3,(H,16,18)/b14-12+
InChIKeyZYWUCXYUJIVFOH-WYMLVPIESA-N
XLogP1.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-phenylbut-1-en-2-yl]sulfonylmorpholine-4-carboxamide?
The IUPAC name of N-[(E)-1-phenylbut-1-en-2-yl]sulfonylmorpholine-4-carboxamide (CID 22750919) is N-[(E)-1-phenylbut-1-en-2-yl]sulfonylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-phenylbut-1-en-2-yl]sulfonylmorpholine-4-carboxamide?
The canonical SMILES for N-[(E)-1-phenylbut-1-en-2-yl]sulfonylmorpholine-4-carboxamide is CC/C(=C\c1ccccc1)S(=O)(=O)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(E)-1-phenylbut-1-en-2-yl]sulfonylmorpholine-4-carboxamide?
The InChIKey is ZYWUCXYUJIVFOH-WYMLVPIESA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-2-14(12-13-6-4-3-5-7-13)22(19,20)16-15(18)17-8-10-21-11-9-17/h3-7,12H,2,8-11H2,1H3,(H,16,18)/b14-12+.
What are the key properties of N-[(E)-1-phenylbut-1-en-2-yl]sulfonylmorpholine-4-carboxamide?
N-[(E)-1-phenylbut-1-en-2-yl]sulfonylmorpholine-4-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylbut-1-en-2-yl]sulfonylmorpholine-4-carboxamide is sourced from PubChem (CID 22750919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).