2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide

C28H26N2O4S2 — CID 17247177

IUPAC2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCCN(c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H26N2O4S2/c1-2-30(36(32,33)25-13-7-4-8-14-25)22-17-19-23(20-18-22)34-21-28(31)29-26-15-9-10-16-27(26)35-24-11-5-3-6-12-24/h3-20H,2,21H2,1H3,(H,29,31)
InChIKeyFPCGLTBNIZHBRL-UHFFFAOYSA-N
MW518.66 g/mol
LogP6.07
Rot. Bonds10

About 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide

2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 17247177) has the molecular formula C28H26N2O4S2 and a molecular weight of 518.66 g/mol. Its IUPAC name is 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID17247177
Molecular FormulaC28H26N2O4S2
Molecular Weight518.66 g/mol
Exact Mass518.13
IUPAC Name2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCCN(c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H26N2O4S2/c1-2-30(36(32,33)25-13-7-4-8-14-25)22-17-19-23(20-18-22)34-21-28(31)29-26-15-9-10-16-27(26)35-24-11-5-3-6-12-24/h3-20H,2,21H2,1H3,(H,29,31)
InChIKeyFPCGLTBNIZHBRL-UHFFFAOYSA-N
XLogP6.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-chloro-2-methylphenyl)acetamide
CID 17247131
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide
CID 92649173
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 92649114
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 17247121
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]acetic acid
CID 92649142
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-phenylacetamide
CID 17247287
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetate
CID 23850338
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-chlorophenyl)acetamide
CID 17247126
4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide
CID 7931590
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1294898
2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-pentan-3-ylacetamide
CID 7613163
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]acetate
CID 2388120

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide (CID 17247177) is 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide is CCN(c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is FPCGLTBNIZHBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4S2/c1-2-30(36(32,33)25-13-7-4-8-14-25)22-17-19-23(20-18-22)34-21-28(31)29-26-15-9-10-16-27(26)35-24-11-5-3-6-12-24/h3-20H,2,21H2,1H3,(H,29,31).
What are the key properties of 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide?
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 518.66 g/mol, XLogP of 6.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 17247177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).