N'-[2-cyclopropyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide

C20H23FN2OS — CID 162391792

IUPACN'-[2-cyclopropyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(S(=O)c2ccccc2F)cc1C1CC1
InChIInChI=1S/C20H23FN2OS/c1-4-23(3)13-22-18-11-14(2)20(12-16(18)15-9-10-15)25(24)19-8-6-5-7-17(19)21/h5-8,11-13,15H,4,9-10H2,1-3H3/b22-13+
InChIKeyUAZJOWPPIITLKG-LPYMAVHISA-N
MW358.48 g/mol
LogP4.79
Rot. Bonds6

About N'-[2-cyclopropyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[2-cyclopropyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 162391792) has the molecular formula C20H23FN2OS and a molecular weight of 358.48 g/mol. Its IUPAC name is N'-[2-cyclopropyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2-cyclopropyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID162391792
Molecular FormulaC20H23FN2OS
Molecular Weight358.48 g/mol
Exact Mass358.15
IUPAC NameN'-[2-cyclopropyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(S(=O)c2ccccc2F)cc1C1CC1
InChIInChI=1S/C20H23FN2OS/c1-4-23(3)13-22-18-11-14(2)20(12-16(18)15-9-10-15)25(24)19-8-6-5-7-17(19)21/h5-8,11-13,15H,4,9-10H2,1-3H3/b22-13+
InChIKeyUAZJOWPPIITLKG-LPYMAVHISA-N
XLogP4.79
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.79
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'-[2-cyclopropyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2-cyclopropyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 162391792) is N'-[2-cyclopropyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2-cyclopropyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2-cyclopropyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(S(=O)c2ccccc2F)cc1C1CC1.
What is the InChIKey of N'-[2-cyclopropyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is UAZJOWPPIITLKG-LPYMAVHISA-N. The full InChI is InChI=1S/C20H23FN2OS/c1-4-23(3)13-22-18-11-14(2)20(12-16(18)15-9-10-15)25(24)19-8-6-5-7-17(19)21/h5-8,11-13,15H,4,9-10H2,1-3H3/b22-13+.
What are the key properties of N'-[2-cyclopropyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2-cyclopropyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 358.48 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-cyclopropyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 162391792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).