N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide

C23H24N2O2S — CID 134847359

IUPACN-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide
SMILESCc1ccc(S(=O)(=O)/N=C(\Cc2ccccc2)N(C)c2ccccc2C)cc1
InChIInChI=1S/C23H24N2O2S/c1-18-13-15-21(16-14-18)28(26,27)24-23(17-20-10-5-4-6-11-20)25(3)22-12-8-7-9-19(22)2/h4-16H,17H2,1-3H3/b24-23+
InChIKeyHRGMEXNAPCXGBL-WCWDXBQESA-N
MW392.52 g/mol
LogP4.77
Rot. Bonds5

About N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide

N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide (PubChem CID 134847359) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide
PubChem CID134847359
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide
SMILESCc1ccc(S(=O)(=O)/N=C(\Cc2ccccc2)N(C)c2ccccc2C)cc1
InChIInChI=1S/C23H24N2O2S/c1-18-13-15-21(16-14-18)28(26,27)24-23(17-20-10-5-4-6-11-20)25(3)22-12-8-7-9-19(22)2/h4-16H,17H2,1-3H3/b24-23+
InChIKeyHRGMEXNAPCXGBL-WCWDXBQESA-N
XLogP4.77
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
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'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide
CID 46225391
(NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide
CID 137288067
1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine
CID 67176300
4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide
CID 136791307
(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide
CID 155906264
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329
(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 6436773
4-methylbenzenesulfonic acid;N'-(4-methylphenyl)-2-phenylethanimidamide
CID 158193362
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
4-methyl-N-(2-methylphenyl)benzenesulfonohydrazide
CID 175041346
2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide
CID 4030330

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide?
The IUPAC name of N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide (CID 134847359) is N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide.
What is the SMILES notation for N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide?
The canonical SMILES for N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide is Cc1ccc(S(=O)(=O)/N=C(\Cc2ccccc2)N(C)c2ccccc2C)cc1.
What is the InChIKey of N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide?
The InChIKey is HRGMEXNAPCXGBL-WCWDXBQESA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-18-13-15-21(16-14-18)28(26,27)24-23(17-20-10-5-4-6-11-20)25(3)22-12-8-7-9-19(22)2/h4-16H,17H2,1-3H3/b24-23+.
What are the key properties of N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide?
N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide has a molecular weight of 392.52 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-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide is sourced from PubChem (CID 134847359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).