N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide

C24H25FN2O3S — CID 30288758

IUPACN-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H25FN2O3S/c1-3-18-4-6-20(7-5-18)17-27(2)24(28)16-19-8-12-22(13-9-19)26-31(29,30)23-14-10-21(25)11-15-23/h4-15,26H,3,16-17H2,1-2H3
InChIKeyOMRJKMIIAJUWFI-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.39
Rot. Bonds8

About N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide

N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide (PubChem CID 30288758) has the molecular formula C24H25FN2O3S and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
PubChem CID30288758
Molecular FormulaC24H25FN2O3S
Molecular Weight440.54 g/mol
Exact Mass440.16
IUPAC NameN-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H25FN2O3S/c1-3-18-4-6-20(7-5-18)17-27(2)24(28)16-19-8-12-22(13-9-19)26-31(29,30)23-14-10-21(25)11-15-23/h4-15,26H,3,16-17H2,1-2H3
InChIKeyOMRJKMIIAJUWFI-UHFFFAOYSA-N
XLogP4.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 32905345
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869288
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
2-(4-acetamidophenyl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 32754802
N-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 27666170
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide
CID 33102586
N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24546779
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 55349044
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide
CID 62306143
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide (CID 30288758) is N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide is CCc1ccc(CN(C)C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide?
The InChIKey is OMRJKMIIAJUWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3S/c1-3-18-4-6-20(7-5-18)17-27(2)24(28)16-19-8-12-22(13-9-19)26-31(29,30)23-14-10-21(25)11-15-23/h4-15,26H,3,16-17H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide?
N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide has a molecular weight of 440.54 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 30288758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).