N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide

C19H24N2O3S — CID 3579735

IUPACN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide
SMILESCC(=NS(=O)(=O)c1ccc(C)cc1)Nc1cc(C(C)C)c(O)cc1C
InChIInChI=1S/C19H24N2O3S/c1-12(2)17-11-18(14(4)10-19(17)22)20-15(5)21-25(23,24)16-8-6-13(3)7-9-16/h6-12,22H,1-5H3,(H,20,21)
InChIKeyMGHXWJGPIPVGNI-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.35
Rot. Bonds4

About N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide

N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide (PubChem CID 3579735) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide
PubChem CID3579735
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide
SMILESCC(=NS(=O)(=O)c1ccc(C)cc1)Nc1cc(C(C)C)c(O)cc1C
InChIInChI=1S/C19H24N2O3S/c1-12(2)17-11-18(14(4)10-19(17)22)20-15(5)21-25(23,24)16-8-6-13(3)7-9-16/h6-12,22H,1-5H3,(H,20,21)
InChIKeyMGHXWJGPIPVGNI-UHFFFAOYSA-N
XLogP4.35
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'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-hydroxy-2-methyl-5-propan-2-ylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide?
The IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide (CID 3579735) is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide.
What is the SMILES notation for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide?
The canonical SMILES for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide is CC(=NS(=O)(=O)c1ccc(C)cc1)Nc1cc(C(C)C)c(O)cc1C.
What is the InChIKey of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide?
The InChIKey is MGHXWJGPIPVGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-12(2)17-11-18(14(4)10-19(17)22)20-15(5)21-25(23,24)16-8-6-13(3)7-9-16/h6-12,22H,1-5H3,(H,20,21).
What are the key properties of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide?
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide has a molecular weight of 360.48 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide is sourced from PubChem (CID 3579735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).