N-ethyl-N-methyl-N'-[5-methyl-4-(2-methylphenyl)sulfinyl-2-(trifluoromethyl)phenyl]methanimidamide

C19H21F3N2OS — CID 162391827

IUPACN-ethyl-N-methyl-N'-[5-methyl-4-(2-methylphenyl)sulfinyl-2-(trifluoromethyl)phenyl]methanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(S(=O)c2ccccc2C)cc1C(F)(F)F
InChIInChI=1S/C19H21F3N2OS/c1-5-24(4)12-23-16-10-14(3)18(11-15(16)19(20,21)22)26(25)17-9-7-6-8-13(17)2/h6-12H,5H2,1-4H3/b23-12+
InChIKeyQSBQFTFYHPHCIN-FSJBWODESA-N
MW382.45 g/mol
LogP5.10
Rot. Bonds5

About N-ethyl-N-methyl-N'-[5-methyl-4-(2-methylphenyl)sulfinyl-2-(trifluoromethyl)phenyl]methanimidamide

N-ethyl-N-methyl-N'-[5-methyl-4-(2-methylphenyl)sulfinyl-2-(trifluoromethyl)phenyl]methanimidamide (PubChem CID 162391827) has the molecular formula C19H21F3N2OS and a molecular weight of 382.45 g/mol. Its IUPAC name is N-ethyl-N-methyl-N'-[5-methyl-4-(2-methylphenyl)sulfinyl-2-(trifluoromethyl)phenyl]methanimidamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-N'-[5-methyl-4-(2-methylphenyl)sulfinyl-2-(trifluoromethyl)phenyl]methanimidamide
PubChem CID162391827
Molecular FormulaC19H21F3N2OS
Molecular Weight382.45 g/mol
Exact Mass382.13
IUPAC NameN-ethyl-N-methyl-N'-[5-methyl-4-(2-methylphenyl)sulfinyl-2-(trifluoromethyl)phenyl]methanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(S(=O)c2ccccc2C)cc1C(F)(F)F
InChIInChI=1S/C19H21F3N2OS/c1-5-24(4)12-23-16-10-14(3)18(11-15(16)19(20,21)22)26(25)17-9-7-6-8-13(17)2/h6-12H,5H2,1-4H3/b23-12+
InChIKeyQSBQFTFYHPHCIN-FSJBWODESA-N
XLogP5.10
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.45
LogP ≤ 55.10
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-methyl-N'-[5-methyl-4-(2-methylphenyl)sulfinyl-2-(trifluoromethyl)phenyl]methanimidamide?
The IUPAC name of N-ethyl-N-methyl-N'-[5-methyl-4-(2-methylphenyl)sulfinyl-2-(trifluoromethyl)phenyl]methanimidamide (CID 162391827) is N-ethyl-N-methyl-N'-[5-methyl-4-(2-methylphenyl)sulfinyl-2-(trifluoromethyl)phenyl]methanimidamide.
What is the SMILES notation for N-ethyl-N-methyl-N'-[5-methyl-4-(2-methylphenyl)sulfinyl-2-(trifluoromethyl)phenyl]methanimidamide?
The canonical SMILES for N-ethyl-N-methyl-N'-[5-methyl-4-(2-methylphenyl)sulfinyl-2-(trifluoromethyl)phenyl]methanimidamide is CCN(C)/C=N/c1cc(C)c(S(=O)c2ccccc2C)cc1C(F)(F)F.
What is the InChIKey of N-ethyl-N-methyl-N'-[5-methyl-4-(2-methylphenyl)sulfinyl-2-(trifluoromethyl)phenyl]methanimidamide?
The InChIKey is QSBQFTFYHPHCIN-FSJBWODESA-N. The full InChI is InChI=1S/C19H21F3N2OS/c1-5-24(4)12-23-16-10-14(3)18(11-15(16)19(20,21)22)26(25)17-9-7-6-8-13(17)2/h6-12H,5H2,1-4H3/b23-12+.
What are the key properties of N-ethyl-N-methyl-N'-[5-methyl-4-(2-methylphenyl)sulfinyl-2-(trifluoromethyl)phenyl]methanimidamide?
N-ethyl-N-methyl-N'-[5-methyl-4-(2-methylphenyl)sulfinyl-2-(trifluoromethyl)phenyl]methanimidamide has a molecular weight of 382.45 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-N'-[5-methyl-4-(2-methylphenyl)sulfinyl-2-(trifluoromethyl)phenyl]methanimidamide is sourced from PubChem (CID 162391827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).