ethyl (Z)-3-acetyloxy-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonylpent-4-enoate

C23H26O6S — CID 132545248

IUPACethyl (Z)-3-acetyloxy-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonylpent-4-enoate
SMILESCCOC(=O)CC(/C=C\c1ccc(C)cc1)(OC(C)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H26O6S/c1-5-28-22(25)16-23(29-19(4)24,15-14-20-10-6-17(2)7-11-20)30(26,27)21-12-8-18(3)9-13-21/h6-15H,5,16H2,1-4H3/b15-14-
InChIKeyPHMRSWPNUPACDM-PFONDFGASA-N
MW430.52 g/mol
LogP4.00
Rot. Bonds8

About ethyl (Z)-3-acetyloxy-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonylpent-4-enoate

ethyl (Z)-3-acetyloxy-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonylpent-4-enoate (PubChem CID 132545248) has the molecular formula C23H26O6S and a molecular weight of 430.52 g/mol. Its IUPAC name is ethyl (Z)-3-acetyloxy-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonylpent-4-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-acetyloxy-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonylpent-4-enoate
PubChem CID132545248
Molecular FormulaC23H26O6S
Molecular Weight430.52 g/mol
Exact Mass430.15
IUPAC Nameethyl (Z)-3-acetyloxy-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonylpent-4-enoate
SMILESCCOC(=O)CC(/C=C\c1ccc(C)cc1)(OC(C)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H26O6S/c1-5-28-22(25)16-23(29-19(4)24,15-14-20-10-6-17(2)7-11-20)30(26,27)21-12-8-18(3)9-13-21/h6-15H,5,16H2,1-4H3/b15-14-
InChIKeyPHMRSWPNUPACDM-PFONDFGASA-N
XLogP4.00
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (Z)-3-acetyloxy-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonylpent-4-enoate 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 ethyl (Z)-3-acetyloxy-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonylpent-4-enoate?
The IUPAC name of ethyl (Z)-3-acetyloxy-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonylpent-4-enoate (CID 132545248) is ethyl (Z)-3-acetyloxy-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonylpent-4-enoate.
What is the SMILES notation for ethyl (Z)-3-acetyloxy-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonylpent-4-enoate?
The canonical SMILES for ethyl (Z)-3-acetyloxy-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonylpent-4-enoate is CCOC(=O)CC(/C=C\c1ccc(C)cc1)(OC(C)=O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl (Z)-3-acetyloxy-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonylpent-4-enoate?
The InChIKey is PHMRSWPNUPACDM-PFONDFGASA-N. The full InChI is InChI=1S/C23H26O6S/c1-5-28-22(25)16-23(29-19(4)24,15-14-20-10-6-17(2)7-11-20)30(26,27)21-12-8-18(3)9-13-21/h6-15H,5,16H2,1-4H3/b15-14-.
What are the key properties of ethyl (Z)-3-acetyloxy-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonylpent-4-enoate?
ethyl (Z)-3-acetyloxy-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonylpent-4-enoate has a molecular weight of 430.52 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-acetyloxy-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonylpent-4-enoate is sourced from PubChem (CID 132545248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).