N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

C30H29N3O5S — CID 17247460

IUPACN-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)COc2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)cc2)c1
InChIInChI=1S/C30H29N3O5S/c1-22-11-17-29(18-12-22)39(36,37)33(20-24-7-4-3-5-8-24)27-13-15-28(16-14-27)38-21-30(35)32-26-10-6-9-25(19-26)31-23(2)34/h3-19H,20-21H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyIIYZERMLHHXBBZ-UHFFFAOYSA-N
MW543.65 g/mol
LogP5.37
Rot. Bonds10

About N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (PubChem CID 17247460) has the molecular formula C30H29N3O5S and a molecular weight of 543.65 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
PubChem CID17247460
Molecular FormulaC30H29N3O5S
Molecular Weight543.65 g/mol
Exact Mass543.18
IUPAC NameN-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)COc2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)cc2)c1
InChIInChI=1S/C30H29N3O5S/c1-22-11-17-29(18-12-22)39(36,37)33(20-24-7-4-3-5-8-24)27-13-15-28(16-14-27)38-21-30(35)32-26-10-6-9-25(19-26)31-23(2)34/h3-19H,20-21H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyIIYZERMLHHXBBZ-UHFFFAOYSA-N
XLogP5.37
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.65
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247359
2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 17247458
N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247535
2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 99961161
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-phenylacetamide
CID 17247287
2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide
CID 92649336
methyl 2-[[2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzoate
CID 17247430
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide
CID 17247518
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126315410
N-(3-acetamidophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30231205
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 99961252
N-(4-bromophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247509

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (CID 17247460) is N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is CC(=O)Nc1cccc(NC(=O)COc2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)cc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The InChIKey is IIYZERMLHHXBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5S/c1-22-11-17-29(18-12-22)39(36,37)33(20-24-7-4-3-5-8-24)27-13-15-28(16-14-27)38-21-30(35)32-26-10-6-9-25(19-26)31-23(2)34/h3-19H,20-21H2,1-2H3,(H,31,34)(H,32,35).
What are the key properties of N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide has a molecular weight of 543.65 g/mol, XLogP of 5.37, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 17247460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).