N-ethyl-N'-(5-fluoro-2-methyl-4-phenylsulfanylphenyl)-N-methylmethanimidamide

C17H19FN2S — CID 162391808

IUPACN-ethyl-N'-(5-fluoro-2-methyl-4-phenylsulfanylphenyl)-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(Sc2ccccc2)cc1C
InChIInChI=1S/C17H19FN2S/c1-4-20(3)12-19-16-11-15(18)17(10-13(16)2)21-14-8-6-5-7-9-14/h5-12H,4H2,1-3H3/b19-12+
InChIKeyVMFKPERGMZKLEQ-XDHOZWIPSA-N
MW302.42 g/mol
LogP4.90
Rot. Bonds5

About N-ethyl-N'-(5-fluoro-2-methyl-4-phenylsulfanylphenyl)-N-methylmethanimidamide

N-ethyl-N'-(5-fluoro-2-methyl-4-phenylsulfanylphenyl)-N-methylmethanimidamide (PubChem CID 162391808) has the molecular formula C17H19FN2S and a molecular weight of 302.42 g/mol. Its IUPAC name is N-ethyl-N'-(5-fluoro-2-methyl-4-phenylsulfanylphenyl)-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-(5-fluoro-2-methyl-4-phenylsulfanylphenyl)-N-methylmethanimidamide
PubChem CID162391808
Molecular FormulaC17H19FN2S
Molecular Weight302.42 g/mol
Exact Mass302.13
IUPAC NameN-ethyl-N'-(5-fluoro-2-methyl-4-phenylsulfanylphenyl)-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(Sc2ccccc2)cc1C
InChIInChI=1S/C17H19FN2S/c1-4-20(3)12-19-16-11-15(18)17(10-13(16)2)21-14-8-6-5-7-9-14/h5-12H,4H2,1-3H3/b19-12+
InChIKeyVMFKPERGMZKLEQ-XDHOZWIPSA-N
XLogP4.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(5-fluoro-2-methyl-4-phenylsulfanylphenyl)-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-(5-fluoro-2-methyl-4-phenylsulfanylphenyl)-N-methylmethanimidamide (CID 162391808) is N-ethyl-N'-(5-fluoro-2-methyl-4-phenylsulfanylphenyl)-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-(5-fluoro-2-methyl-4-phenylsulfanylphenyl)-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-(5-fluoro-2-methyl-4-phenylsulfanylphenyl)-N-methylmethanimidamide is CCN(C)/C=N/c1cc(F)c(Sc2ccccc2)cc1C.
What is the InChIKey of N-ethyl-N'-(5-fluoro-2-methyl-4-phenylsulfanylphenyl)-N-methylmethanimidamide?
The InChIKey is VMFKPERGMZKLEQ-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H19FN2S/c1-4-20(3)12-19-16-11-15(18)17(10-13(16)2)21-14-8-6-5-7-9-14/h5-12H,4H2,1-3H3/b19-12+.
What are the key properties of N-ethyl-N'-(5-fluoro-2-methyl-4-phenylsulfanylphenyl)-N-methylmethanimidamide?
N-ethyl-N'-(5-fluoro-2-methyl-4-phenylsulfanylphenyl)-N-methylmethanimidamide has a molecular weight of 302.42 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(5-fluoro-2-methyl-4-phenylsulfanylphenyl)-N-methylmethanimidamide is sourced from PubChem (CID 162391808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).