phenyl (E)-N-(4-ethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate

C24H23NOS — CID 59498478

IUPACphenyl (E)-N-(4-ethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate
SMILESCCc1ccc(/N=C(Sc2ccccc2)/C(C)=C/Oc2ccccc2)cc1
InChIInChI=1S/C24H23NOS/c1-3-20-14-16-21(17-15-20)25-24(27-23-12-8-5-9-13-23)19(2)18-26-22-10-6-4-7-11-22/h4-18H,3H2,1-2H3/b19-18+,25-24-
InChIKeyRXQONYNARRPPHJ-SYEFYXIUSA-N
MW373.52 g/mol
LogP7.05
Rot. Bonds6

About phenyl (E)-N-(4-ethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate

phenyl (E)-N-(4-ethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate (PubChem CID 59498478) has the molecular formula C24H23NOS and a molecular weight of 373.52 g/mol. Its IUPAC name is phenyl (E)-N-(4-ethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate.

Molecular Properties

Compound Namephenyl (E)-N-(4-ethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate
PubChem CID59498478
Molecular FormulaC24H23NOS
Molecular Weight373.52 g/mol
Exact Mass373.15
IUPAC Namephenyl (E)-N-(4-ethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate
SMILESCCc1ccc(/N=C(Sc2ccccc2)/C(C)=C/Oc2ccccc2)cc1
InChIInChI=1S/C24H23NOS/c1-3-20-14-16-21(17-15-20)25-24(27-23-12-8-5-9-13-23)19(2)18-26-22-10-6-4-7-11-22/h4-18H,3H2,1-2H3/b19-18+,25-24-
InChIKeyRXQONYNARRPPHJ-SYEFYXIUSA-N
XLogP7.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.52
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze phenyl (E)-N-(4-ethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate 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

phenyl (E)-3-(4-ethoxyphenoxy)-2-methyl-N-phenylprop-2-enimidothioate
CID 67544152
phenyl N-(3,4-dimethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate
CID 67543204
phenyl (E)-3-(3-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enimidothioate
CID 67544057
phenyl (E)-3-(3,4-dimethylphenoxy)-2-methyl-N-phenylprop-2-enimidothioate
CID 67542945
(3-methylphenyl) (E)-3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enimidothioate
CID 67543672
(3-methylphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidothioate
CID 67543764
phenyl 2-methyl-3-phenylsulfanyl-N-(4-propan-2-ylphenyl)prop-2-enimidothioate
CID 67543984
phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 59498395
(3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 59498391
phenyl N-(4-ethylphenyl)-3,3-bis(phenyldisulfanyl)propanimidate
CID 87469992
(E)-3-(3-ethylphenoxy)-2-methylprop-2-enoic acid
CID 59498472
phenyl (E)-3-(4-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
CID 67544048

Frequently Asked Questions

What is the IUPAC name of phenyl (E)-N-(4-ethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate?
The IUPAC name of phenyl (E)-N-(4-ethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate (CID 59498478) is phenyl (E)-N-(4-ethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate.
What is the SMILES notation for phenyl (E)-N-(4-ethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate?
The canonical SMILES for phenyl (E)-N-(4-ethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate is CCc1ccc(/N=C(Sc2ccccc2)/C(C)=C/Oc2ccccc2)cc1.
What is the InChIKey of phenyl (E)-N-(4-ethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate?
The InChIKey is RXQONYNARRPPHJ-SYEFYXIUSA-N. The full InChI is InChI=1S/C24H23NOS/c1-3-20-14-16-21(17-15-20)25-24(27-23-12-8-5-9-13-23)19(2)18-26-22-10-6-4-7-11-22/h4-18H,3H2,1-2H3/b19-18+,25-24-.
What are the key properties of phenyl (E)-N-(4-ethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate?
phenyl (E)-N-(4-ethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate has a molecular weight of 373.52 g/mol, XLogP of 7.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (E)-N-(4-ethylphenyl)-2-methyl-3-phenoxyprop-2-enimidothioate is sourced from PubChem (CID 59498478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).