N-(4-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide

C24H30N4O4S — CID 6216031

IUPACN-(4-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H30N4O4S/c29-24(25-22-6-8-23(9-7-22)27-15-17-32-18-16-27)20-26-11-13-28(14-12-26)33(30,31)19-10-21-4-2-1-3-5-21/h1-10,19H,11-18,20H2,(H,25,29)/b19-10+
InChIKeyMEALWECUEUTODK-VXLYETTFSA-N
MW470.60 g/mol
LogP2.08
Rot. Bonds7

About N-(4-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide

N-(4-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide (PubChem CID 6216031) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
PubChem CID6216031
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H30N4O4S/c29-24(25-22-6-8-23(9-7-22)27-15-17-32-18-16-27)20-26-11-13-28(14-12-26)33(30,31)19-10-21-4-2-1-3-5-21/h1-10,19H,11-18,20H2,(H,25,29)/b19-10+
InChIKeyMEALWECUEUTODK-VXLYETTFSA-N
XLogP2.08
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.08
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 N-(4-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide (CID 6216031) is N-(4-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
The InChIKey is MEALWECUEUTODK-VXLYETTFSA-N. The full InChI is InChI=1S/C24H30N4O4S/c29-24(25-22-6-8-23(9-7-22)27-15-17-32-18-16-27)20-26-11-13-28(14-12-26)33(30,31)19-10-21-4-2-1-3-5-21/h1-10,19H,11-18,20H2,(H,25,29)/b19-10+.
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
N-(4-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide has a molecular weight of 470.60 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 6216031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).