N-ethyl-N'-[4-(2-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylphenyl]-N-methylmethanimidamide

C20H25FN2S — CID 162391818

IUPACN-ethyl-N'-[4-(2-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Sc2ccccc2F)cc1C(C)C
InChIInChI=1S/C20H25FN2S/c1-6-23(5)13-22-18-11-15(4)20(12-16(18)14(2)3)24-19-10-8-7-9-17(19)21/h7-14H,6H2,1-5H3/b22-13+
InChIKeyWPWGZCBBEVRCBW-LPYMAVHISA-N
MW344.50 g/mol
LogP6.02
Rot. Bonds6

About N-ethyl-N'-[4-(2-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylphenyl]-N-methylmethanimidamide

N-ethyl-N'-[4-(2-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylphenyl]-N-methylmethanimidamide (PubChem CID 162391818) has the molecular formula C20H25FN2S and a molecular weight of 344.50 g/mol. Its IUPAC name is N-ethyl-N'-[4-(2-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[4-(2-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylphenyl]-N-methylmethanimidamide
PubChem CID162391818
Molecular FormulaC20H25FN2S
Molecular Weight344.50 g/mol
Exact Mass344.17
IUPAC NameN-ethyl-N'-[4-(2-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Sc2ccccc2F)cc1C(C)C
InChIInChI=1S/C20H25FN2S/c1-6-23(5)13-22-18-11-15(4)20(12-16(18)14(2)3)24-19-10-8-7-9-17(19)21/h7-14H,6H2,1-5H3/b22-13+
InChIKeyWPWGZCBBEVRCBW-LPYMAVHISA-N
XLogP6.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.02
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'-[4-(2-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[4-(2-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylphenyl]-N-methylmethanimidamide (CID 162391818) is N-ethyl-N'-[4-(2-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[4-(2-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[4-(2-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylphenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Sc2ccccc2F)cc1C(C)C.
What is the InChIKey of N-ethyl-N'-[4-(2-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylphenyl]-N-methylmethanimidamide?
The InChIKey is WPWGZCBBEVRCBW-LPYMAVHISA-N. The full InChI is InChI=1S/C20H25FN2S/c1-6-23(5)13-22-18-11-15(4)20(12-16(18)14(2)3)24-19-10-8-7-9-17(19)21/h7-14H,6H2,1-5H3/b22-13+.
What are the key properties of N-ethyl-N'-[4-(2-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylphenyl]-N-methylmethanimidamide?
N-ethyl-N'-[4-(2-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylphenyl]-N-methylmethanimidamide has a molecular weight of 344.50 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-(2-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 162391818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).