N'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide

C22H30N2O2S — CID 4271791

IUPACN'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide
SMILESCCN(CC)C(=NS(=O)(=O)c1cc(C(C)(C)C)ccc1C)c1ccccc1
InChIInChI=1S/C22H30N2O2S/c1-7-24(8-2)21(18-12-10-9-11-13-18)23-27(25,26)20-16-19(22(4,5)6)15-14-17(20)3/h9-16H,7-8H2,1-6H3
InChIKeyOLHVLLSHRGIFOD-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.77
Rot. Bonds5

About N'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide

N'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide (PubChem CID 4271791) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is N'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide
PubChem CID4271791
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC NameN'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide
SMILESCCN(CC)C(=NS(=O)(=O)c1cc(C(C)(C)C)ccc1C)c1ccccc1
InChIInChI=1S/C22H30N2O2S/c1-7-24(8-2)21(18-12-10-9-11-13-18)23-27(25,26)20-16-19(22(4,5)6)15-14-17(20)3/h9-16H,7-8H2,1-6H3
InChIKeyOLHVLLSHRGIFOD-UHFFFAOYSA-N
XLogP4.77
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.77
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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Related Compounds

N-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide
CID 3789425
2-(5-tert-butyl-2-methylphenyl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78881039
1-(2-bromoethyl)-1-ethyl-2-(2-methylphenyl)sulfonylguanidine
CID 67823463
4-tert-butyl-1-methyl-2-methylsulfonylbenzene
CID 123141469
N'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide
CID 58753464
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
3-[ethyl(2-hydroxyethyl)sulfamoyl]-4-methylbenzoic acid
CID 60951989
N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide
CID 46817764
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2545780
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
[diethylamino(phenyl)methylidene]carbamothioylcarbamic acid
CID 173131051
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995

Frequently Asked Questions

What is the IUPAC name of N'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide?
The IUPAC name of N'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide (CID 4271791) is N'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide.
What is the SMILES notation for N'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide?
The canonical SMILES for N'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide is CCN(CC)C(=NS(=O)(=O)c1cc(C(C)(C)C)ccc1C)c1ccccc1.
What is the InChIKey of N'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide?
The InChIKey is OLHVLLSHRGIFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-7-24(8-2)21(18-12-10-9-11-13-18)23-27(25,26)20-16-19(22(4,5)6)15-14-17(20)3/h9-16H,7-8H2,1-6H3.
What are the key properties of N'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide?
N'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide has a molecular weight of 386.56 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide is sourced from PubChem (CID 4271791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).