(E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide

C23H21NO2S — CID 25112017

IUPAC(E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccccc1SCCOc1ccccc1
InChIInChI=1S/C23H21NO2S/c25-23(16-15-19-9-3-1-4-10-19)24-21-13-7-8-14-22(21)27-18-17-26-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,24,25)/b16-15+
InChIKeyHGXQTWJYFLMYEC-FOCLMDBBSA-N
MW375.49 g/mol
LogP5.51
Rot. Bonds8

About (E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide

(E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide (PubChem CID 25112017) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is (E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide
PubChem CID25112017
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC Name(E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccccc1SCCOc1ccccc1
InChIInChI=1S/C23H21NO2S/c25-23(16-15-19-9-3-1-4-10-19)24-21-13-7-8-14-22(21)27-18-17-26-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,24,25)/b16-15+
InChIKeyHGXQTWJYFLMYEC-FOCLMDBBSA-N
XLogP5.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide chloride
CID 71296942
(E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide;hydrate;hydrochloride
CID 23581800
(E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 30377596
4-[2-[2-(3-phenylprop-2-enoylamino)phenoxy]ethoxy]benzoic acid
CID 68690016
3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 2792142
(E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 55771428
(E)-3-(3-fluorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]prop-2-enamide
CID 16623249
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
2-(3-phenylprop-2-enoylamino)benzoate
CID 6935692
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide
CID 4798657
N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide
CID 112766444

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide (CID 25112017) is (E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccccc1SCCOc1ccccc1.
What is the InChIKey of (E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is HGXQTWJYFLMYEC-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H21NO2S/c25-23(16-15-19-9-3-1-4-10-19)24-21-13-7-8-14-22(21)27-18-17-26-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,24,25)/b16-15+.
What are the key properties of (E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide?
(E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 375.49 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-phenoxyethylsulfanyl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 25112017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).