2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide

C28H24F2N2O4S — CID 92649336

IUPAC2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)cc1
InChIInChI=1S/C28H24F2N2O4S/c1-20-7-14-25(15-8-20)37(34,35)32(18-21-5-3-2-4-6-21)23-10-12-24(13-11-23)36-19-28(33)31-27-16-9-22(29)17-26(27)30/h2-17H,18-19H2,1H3,(H,31,33)
InChIKeyVNPKASRPFLDVGZ-UHFFFAOYSA-N
MW522.57 g/mol
LogP5.69
Rot. Bonds9

About 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide

2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide (PubChem CID 92649336) has the molecular formula C28H24F2N2O4S and a molecular weight of 522.57 g/mol. Its IUPAC name is 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide
PubChem CID92649336
Molecular FormulaC28H24F2N2O4S
Molecular Weight522.57 g/mol
Exact Mass522.14
IUPAC Name2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)cc1
InChIInChI=1S/C28H24F2N2O4S/c1-20-7-14-25(15-8-20)37(34,35)32(18-21-5-3-2-4-6-21)23-10-12-24(13-11-23)36-19-28(33)31-27-16-9-22(29)17-26(27)30/h2-17H,18-19H2,1H3,(H,31,33)
InChIKeyVNPKASRPFLDVGZ-UHFFFAOYSA-N
XLogP5.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.57
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 17247458
methyl 2-[[2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzoate
CID 17247430
2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 99961161
N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247460
N-(2,4-difluorophenyl)-2-(4-methylphenoxy)acetamide
CID 755254
N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 92649274
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-phenylethyl)acetamide
CID 17247484
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide
CID 17247518
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-ethoxypropyl)acetamide
CID 17247450
N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247535
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-phenylacetamide
CID 17247287

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide (CID 92649336) is 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)cc1.
What is the InChIKey of 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is VNPKASRPFLDVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N2O4S/c1-20-7-14-25(15-8-20)37(34,35)32(18-21-5-3-2-4-6-21)23-10-12-24(13-11-23)36-19-28(33)31-27-16-9-22(29)17-26(27)30/h2-17H,18-19H2,1H3,(H,31,33).
What are the key properties of 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide?
2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 522.57 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 92649336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).