N-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide

C19H20F2N2OS — CID 135363420

IUPACN-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(C(=O)CSc2ccccc2F)cc1C
InChIInChI=1S/C19H20F2N2OS/c1-4-23(3)12-22-17-10-16(21)14(9-13(17)2)18(24)11-25-19-8-6-5-7-15(19)20/h5-10,12H,4,11H2,1-3H3/b22-12+
InChIKeyDZEGSQRYTXIWEN-WSDLNYQXSA-N
MW362.45 g/mol
LogP4.86
Rot. Bonds7

About N-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide

N-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide (PubChem CID 135363420) has the molecular formula C19H20F2N2OS and a molecular weight of 362.45 g/mol. Its IUPAC name is N-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide
PubChem CID135363420
Molecular FormulaC19H20F2N2OS
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(C(=O)CSc2ccccc2F)cc1C
InChIInChI=1S/C19H20F2N2OS/c1-4-23(3)12-22-17-10-16(21)14(9-13(17)2)18(24)11-25-19-8-6-5-7-15(19)20/h5-10,12H,4,11H2,1-3H3/b22-12+
InChIKeyDZEGSQRYTXIWEN-WSDLNYQXSA-N
XLogP4.86
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.86
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

N'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 163372419
N-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 150453946
N'-[4-[2-(3,4-dichlorophenyl)sulfanylacetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135362961
N'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 162391810
N'-[4-[2-[2-(difluoromethoxy)phenyl]acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 163372361
N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid
CID 118310253
N'-[2,5-dimethyl-4-(4,4,4-trifluorobutanoyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 170655962
[3-(trifluoromethyl)phenyl]methyl 4-[[ethyl(methyl)amino]methylideneamino]-2-fluoro-5-methylbenzoate
CID 155325110
N-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 91496481
N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 170655938
N'-[4-[2-(2-chloro-5-fluoro-N-methylanilino)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135362603
N'-[4-[2-(3-chloro-N-methylanilino)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142458820

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide (CID 135363420) is N-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(F)c(C(=O)CSc2ccccc2F)cc1C.
What is the InChIKey of N-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide?
The InChIKey is DZEGSQRYTXIWEN-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H20F2N2OS/c1-4-23(3)12-22-17-10-16(21)14(9-13(17)2)18(24)11-25-19-8-6-5-7-15(19)20/h5-10,12H,4,11H2,1-3H3/b22-12+.
What are the key properties of N-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide?
N-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide has a molecular weight of 362.45 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 135363420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).