(4-methylphenyl) 2-methyl-N-phenyl-3-phenylsulfanylprop-2-enimidate

C23H21NOS — CID 67544805

IUPAC(4-methylphenyl) 2-methyl-N-phenyl-3-phenylsulfanylprop-2-enimidate
SMILESCC(=CSc1ccccc1)/C(=N\c1ccccc1)Oc1ccc(C)cc1
InChIInChI=1S/C23H21NOS/c1-18-13-15-21(16-14-18)25-23(24-20-9-5-3-6-10-20)19(2)17-26-22-11-7-4-8-12-22/h3-17H,1-2H3/b19-17?,24-23+
InChIKeyHURGOGTXAVECHT-VNHMWSBJSA-N
MW359.49 g/mol
LogP6.80
Rot. Bonds5

About (4-methylphenyl) 2-methyl-N-phenyl-3-phenylsulfanylprop-2-enimidate

(4-methylphenyl) 2-methyl-N-phenyl-3-phenylsulfanylprop-2-enimidate (PubChem CID 67544805) has the molecular formula C23H21NOS and a molecular weight of 359.49 g/mol. Its IUPAC name is (4-methylphenyl) 2-methyl-N-phenyl-3-phenylsulfanylprop-2-enimidate.

Molecular Properties

Compound Name(4-methylphenyl) 2-methyl-N-phenyl-3-phenylsulfanylprop-2-enimidate
PubChem CID67544805
Molecular FormulaC23H21NOS
Molecular Weight359.49 g/mol
Exact Mass359.13
IUPAC Name(4-methylphenyl) 2-methyl-N-phenyl-3-phenylsulfanylprop-2-enimidate
SMILESCC(=CSc1ccccc1)/C(=N\c1ccccc1)Oc1ccc(C)cc1
InChIInChI=1S/C23H21NOS/c1-18-13-15-21(16-14-18)25-23(24-20-9-5-3-6-10-20)19(2)17-26-22-11-7-4-8-12-22/h3-17H,1-2H3/b19-17?,24-23+
InChIKeyHURGOGTXAVECHT-VNHMWSBJSA-N
XLogP6.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

phenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 59498296
phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 59498395
phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate
CID 67544941
(3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 67543944
(2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 67544611
(3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 59498391
phenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate
CID 67544196
phenyl (E)-3-(4-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
CID 67544048
phenyl 3-(4-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
CID 59498400
phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate
CID 67544900
(2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate
CID 67542931
phenyl 2-[(4-methoxyphenoxy)methylidene]-N-(4-methylphenyl)butanimidate
CID 59498364

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 2-methyl-N-phenyl-3-phenylsulfanylprop-2-enimidate?
The IUPAC name of (4-methylphenyl) 2-methyl-N-phenyl-3-phenylsulfanylprop-2-enimidate (CID 67544805) is (4-methylphenyl) 2-methyl-N-phenyl-3-phenylsulfanylprop-2-enimidate.
What is the SMILES notation for (4-methylphenyl) 2-methyl-N-phenyl-3-phenylsulfanylprop-2-enimidate?
The canonical SMILES for (4-methylphenyl) 2-methyl-N-phenyl-3-phenylsulfanylprop-2-enimidate is CC(=CSc1ccccc1)/C(=N\c1ccccc1)Oc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl) 2-methyl-N-phenyl-3-phenylsulfanylprop-2-enimidate?
The InChIKey is HURGOGTXAVECHT-VNHMWSBJSA-N. The full InChI is InChI=1S/C23H21NOS/c1-18-13-15-21(16-14-18)25-23(24-20-9-5-3-6-10-20)19(2)17-26-22-11-7-4-8-12-22/h3-17H,1-2H3/b19-17?,24-23+.
What are the key properties of (4-methylphenyl) 2-methyl-N-phenyl-3-phenylsulfanylprop-2-enimidate?
(4-methylphenyl) 2-methyl-N-phenyl-3-phenylsulfanylprop-2-enimidate has a molecular weight of 359.49 g/mol, XLogP of 6.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 2-methyl-N-phenyl-3-phenylsulfanylprop-2-enimidate is sourced from PubChem (CID 67544805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).