N'-[(4-tert-butylphenyl)methyl]-N-(4-methylphenyl)sulfonylethanimidamide

C20H26N2O2S — CID 20803157

IUPACN'-[(4-tert-butylphenyl)methyl]-N-(4-methylphenyl)sulfonylethanimidamide
SMILESC/C(=N\Cc1ccc(C(C)(C)C)cc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O2S/c1-15-6-12-19(13-7-15)25(23,24)22-16(2)21-14-17-8-10-18(11-9-17)20(3,4)5/h6-13H,14H2,1-5H3,(H,21,22)
InChIKeyYHMKBVRKKUEPMR-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.19
Rot. Bonds4

About N'-[(4-tert-butylphenyl)methyl]-N-(4-methylphenyl)sulfonylethanimidamide

N'-[(4-tert-butylphenyl)methyl]-N-(4-methylphenyl)sulfonylethanimidamide (PubChem CID 20803157) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N'-[(4-tert-butylphenyl)methyl]-N-(4-methylphenyl)sulfonylethanimidamide.

Molecular Properties

Compound NameN'-[(4-tert-butylphenyl)methyl]-N-(4-methylphenyl)sulfonylethanimidamide
PubChem CID20803157
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN'-[(4-tert-butylphenyl)methyl]-N-(4-methylphenyl)sulfonylethanimidamide
SMILESC/C(=N\Cc1ccc(C(C)(C)C)cc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O2S/c1-15-6-12-19(13-7-15)25(23,24)22-16(2)21-14-17-8-10-18(11-9-17)20(3,4)5/h6-13H,14H2,1-5H3,(H,21,22)
InChIKeyYHMKBVRKKUEPMR-UHFFFAOYSA-N
XLogP4.19
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
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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Related Compounds

N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 171485871
4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 923515
N-[4-(2-bromoethyl)phenyl]sulfonyl-4-tert-butylbenzamide
CID 18977847
4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115362965
N-(3-hydroxy-2,2-dimethylpropyl)-4-methylbenzenesulfonamide
CID 5174849
1-tert-butyl-2-[[4-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111046400
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethyl-2-[[4-(methylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 109493181
tert-butyl N-[N-(4-methylphenyl)sulfonyl-N'-propylcarbamimidoyl]carbamate
CID 101154955
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
(4-methylphenyl)sulfonylurea;urea
CID 160676948
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea
CID 110291410

Frequently Asked Questions

What is the IUPAC name of N'-[(4-tert-butylphenyl)methyl]-N-(4-methylphenyl)sulfonylethanimidamide?
The IUPAC name of N'-[(4-tert-butylphenyl)methyl]-N-(4-methylphenyl)sulfonylethanimidamide (CID 20803157) is N'-[(4-tert-butylphenyl)methyl]-N-(4-methylphenyl)sulfonylethanimidamide.
What is the SMILES notation for N'-[(4-tert-butylphenyl)methyl]-N-(4-methylphenyl)sulfonylethanimidamide?
The canonical SMILES for N'-[(4-tert-butylphenyl)methyl]-N-(4-methylphenyl)sulfonylethanimidamide is C/C(=N\Cc1ccc(C(C)(C)C)cc1)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N'-[(4-tert-butylphenyl)methyl]-N-(4-methylphenyl)sulfonylethanimidamide?
The InChIKey is YHMKBVRKKUEPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-15-6-12-19(13-7-15)25(23,24)22-16(2)21-14-17-8-10-18(11-9-17)20(3,4)5/h6-13H,14H2,1-5H3,(H,21,22).
What are the key properties of N'-[(4-tert-butylphenyl)methyl]-N-(4-methylphenyl)sulfonylethanimidamide?
N'-[(4-tert-butylphenyl)methyl]-N-(4-methylphenyl)sulfonylethanimidamide has a molecular weight of 358.51 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-tert-butylphenyl)methyl]-N-(4-methylphenyl)sulfonylethanimidamide is sourced from PubChem (CID 20803157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).