(R)-N-[(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfinamide

C20H23NO2S — CID 51356650

IUPAC(R)-N-[(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfinamide
SMILESC=C/C=C(/OCC)[C@@H](N[S@](=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H23NO2S/c1-4-9-19(23-5-2)20(17-10-7-6-8-11-17)21-24(22)18-14-12-16(3)13-15-18/h4,6-15,20-21H,1,5H2,2-3H3/b19-9+/t20-,24+/m0/s1
InChIKeyFUSMNAMJRKTMPC-JEYAJMCDSA-N
MW341.48 g/mol
LogP4.45
Rot. Bonds8

About (R)-N-[(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfinamide

(R)-N-[(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfinamide (PubChem CID 51356650) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is (R)-N-[(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfinamide
PubChem CID51356650
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name(R)-N-[(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfinamide
SMILESC=C/C=C(/OCC)[C@@H](N[S@](=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H23NO2S/c1-4-9-19(23-5-2)20(17-10-7-6-8-11-17)21-24(22)18-14-12-16(3)13-15-18/h4,6-15,20-21H,1,5H2,2-3H3/b19-9+/t20-,24+/m0/s1
InChIKeyFUSMNAMJRKTMPC-JEYAJMCDSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (R)-N-[(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfinamide 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 (R)-N-[(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfinamide?
The IUPAC name of (R)-N-[(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfinamide (CID 51356650) is (R)-N-[(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfinamide.
What is the SMILES notation for (R)-N-[(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfinamide?
The canonical SMILES for (R)-N-[(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfinamide is C=C/C=C(/OCC)[C@@H](N[S@](=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (R)-N-[(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfinamide?
The InChIKey is FUSMNAMJRKTMPC-JEYAJMCDSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-4-9-19(23-5-2)20(17-10-7-6-8-11-17)21-24(22)18-14-12-16(3)13-15-18/h4,6-15,20-21H,1,5H2,2-3H3/b19-9+/t20-,24+/m0/s1.
What are the key properties of (R)-N-[(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfinamide?
(R)-N-[(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfinamide has a molecular weight of 341.48 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfinamide is sourced from PubChem (CID 51356650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).