[(Z)-2-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylethenyl] acetate

C26H25NO4S — CID 154714566

IUPAC[(Z)-2-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylethenyl] acetate
SMILESCC(=O)O/C(=C\N(C/C=C/c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C26H25NO4S/c1-21-15-17-25(18-16-21)32(29,30)27(19-9-12-23-10-5-3-6-11-23)20-26(31-22(2)28)24-13-7-4-8-14-24/h3-18,20H,19H2,1-2H3/b12-9+,26-20-
InChIKeyYJKUTLOQHFEDKS-XWRWGNRUSA-N
MW447.56 g/mol
LogP5.26
Rot. Bonds8

About [(Z)-2-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylethenyl] acetate

[(Z)-2-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylethenyl] acetate (PubChem CID 154714566) has the molecular formula C26H25NO4S and a molecular weight of 447.56 g/mol. Its IUPAC name is [(Z)-2-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylethenyl] acetate.

Molecular Properties

Compound Name[(Z)-2-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylethenyl] acetate
PubChem CID154714566
Molecular FormulaC26H25NO4S
Molecular Weight447.56 g/mol
Exact Mass447.15
IUPAC Name[(Z)-2-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylethenyl] acetate
SMILESCC(=O)O/C(=C\N(C/C=C/c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C26H25NO4S/c1-21-15-17-25(18-16-21)32(29,30)27(19-9-12-23-10-5-3-6-11-23)20-26(31-22(2)28)24-13-7-4-8-14-24/h3-18,20H,19H2,1-2H3/b12-9+,26-20-
InChIKeyYJKUTLOQHFEDKS-XWRWGNRUSA-N
XLogP5.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze [(Z)-2-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylethenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylethenyl] acetate?
The IUPAC name of [(Z)-2-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylethenyl] acetate (CID 154714566) is [(Z)-2-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylethenyl] acetate.
What is the SMILES notation for [(Z)-2-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylethenyl] acetate?
The canonical SMILES for [(Z)-2-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylethenyl] acetate is CC(=O)O/C(=C\N(C/C=C/c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of [(Z)-2-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylethenyl] acetate?
The InChIKey is YJKUTLOQHFEDKS-XWRWGNRUSA-N. The full InChI is InChI=1S/C26H25NO4S/c1-21-15-17-25(18-16-21)32(29,30)27(19-9-12-23-10-5-3-6-11-23)20-26(31-22(2)28)24-13-7-4-8-14-24/h3-18,20H,19H2,1-2H3/b12-9+,26-20-.
What are the key properties of [(Z)-2-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylethenyl] acetate?
[(Z)-2-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylethenyl] acetate has a molecular weight of 447.56 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylethenyl] acetate is sourced from PubChem (CID 154714566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).