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

C25H27N3O5S — CID 17247359

IUPACN-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCCN(c1ccc(OCC(=O)Nc2cccc(NC(C)=O)c2)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H27N3O5S/c1-4-28(34(31,32)24-14-8-18(2)9-15-24)22-10-12-23(13-11-22)33-17-25(30)27-21-7-5-6-20(16-21)26-19(3)29/h5-16H,4,17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyZTWJAQSYFXNHFS-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.19
Rot. Bonds9

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

N-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (PubChem CID 17247359) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
PubChem CID17247359
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCCN(c1ccc(OCC(=O)Nc2cccc(NC(C)=O)c2)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H27N3O5S/c1-4-28(34(31,32)24-14-8-18(2)9-15-24)22-10-12-23(13-11-22)33-17-25(30)27-21-7-5-6-20(16-21)26-19(3)29/h5-16H,4,17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyZTWJAQSYFXNHFS-UHFFFAOYSA-N
XLogP4.19
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-phenylacetamide
CID 17247287
N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247460
N-(3,4-dimethoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 92649278
dimethyl 5-[[2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 99960925
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-chlorophenyl)acetamide
CID 17247126
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 99960904
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide
CID 92649173
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30171593
N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247535
N-(3-acetamidophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30231205
N-(4-acetamidophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1302894
N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 92649274

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (CID 17247359) is N-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is CCN(c1ccc(OCC(=O)Nc2cccc(NC(C)=O)c2)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The InChIKey is ZTWJAQSYFXNHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-4-28(34(31,32)24-14-8-18(2)9-15-24)22-10-12-23(13-11-22)33-17-25(30)27-21-7-5-6-20(16-21)26-19(3)29/h5-16H,4,17H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
N-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide has a molecular weight of 481.57 g/mol, XLogP of 4.19, 9 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-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 17247359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).