N'-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

C19H22F2N2OS — CID 56837185

IUPACN'-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Sc2cccc(OC(F)F)c2)cc1C
InChIInChI=1S/C19H22F2N2OS/c1-5-23(4)12-22-17-9-14(3)18(10-13(17)2)25-16-8-6-7-15(11-16)24-19(20)21/h6-12,19H,5H2,1-4H3/b22-12+
InChIKeyFXLMOAQSXRPYGT-WSDLNYQXSA-N
MW364.46 g/mol
LogP5.67
Rot. Bonds7

About N'-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 56837185) has the molecular formula C19H22F2N2OS and a molecular weight of 364.46 g/mol. Its IUPAC name is N'-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID56837185
Molecular FormulaC19H22F2N2OS
Molecular Weight364.46 g/mol
Exact Mass364.14
IUPAC NameN'-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Sc2cccc(OC(F)F)c2)cc1C
InChIInChI=1S/C19H22F2N2OS/c1-5-23(4)12-22-17-9-14(3)18(10-13(17)2)25-16-8-6-7-15(11-16)24-19(20)21/h6-12,19H,5H2,1-4H3/b22-12+
InChIKeyFXLMOAQSXRPYGT-WSDLNYQXSA-N
XLogP5.67
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 55.67
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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Frequently Asked Questions

What is the IUPAC name of N'-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 56837185) is N'-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Sc2cccc(OC(F)F)c2)cc1C.
What is the InChIKey of N'-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is FXLMOAQSXRPYGT-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H22F2N2OS/c1-5-23(4)12-22-17-9-14(3)18(10-13(17)2)25-16-8-6-7-15(11-16)24-19(20)21/h6-12,19H,5H2,1-4H3/b22-12+.
What are the key properties of N'-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 364.46 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 56837185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).