N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide

C21H19FN2OS — CID 170976993

IUPACN-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NSc3ccc(F)cc3)cc2)c(C)c1
InChIInChI=1S/C21H19FN2OS/c1-14-3-12-20(15(2)13-14)23-21(25)16-4-8-18(9-5-16)24-26-19-10-6-17(22)7-11-19/h3-13,24H,1-2H3,(H,23,25)
InChIKeyOFYLZLUFUONYEG-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.81
Rot. Bonds5

About N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide

N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide (PubChem CID 170976993) has the molecular formula C21H19FN2OS and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide
PubChem CID170976993
Molecular FormulaC21H19FN2OS
Molecular Weight366.46 g/mol
Exact Mass366.12
IUPAC NameN-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NSc3ccc(F)cc3)cc2)c(C)c1
InChIInChI=1S/C21H19FN2OS/c1-14-3-12-20(15(2)13-14)23-21(25)16-4-8-18(9-5-16)24-26-19-10-6-17(22)7-11-19/h3-13,24H,1-2H3,(H,23,25)
InChIKeyOFYLZLUFUONYEG-UHFFFAOYSA-N
XLogP5.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109242670
4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide
CID 170977170
4-fluoro-N-(2-iodo-4-methylphenyl)benzamide
CID 531959
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
CID 60764705
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049608
1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043157
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide (CID 170976993) is N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide is Cc1ccc(NC(=O)c2ccc(NSc3ccc(F)cc3)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide?
The InChIKey is OFYLZLUFUONYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2OS/c1-14-3-12-20(15(2)13-14)23-21(25)16-4-8-18(9-5-16)24-26-19-10-6-17(22)7-11-19/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide?
N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide has a molecular weight of 366.46 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide is sourced from PubChem (CID 170976993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).