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

C25H28N2O4S — CID 17247121

IUPAC2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCN(c1ccc(OCC(=O)Nc2ccc(C(C)C)cc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-4-27(32(29,30)24-8-6-5-7-9-24)22-14-16-23(17-15-22)31-18-25(28)26-21-12-10-20(11-13-21)19(2)3/h5-17,19H,4,18H2,1-3H3,(H,26,28)
InChIKeyHVOXLPVRLVTFHI-UHFFFAOYSA-N
MW452.58 g/mol
LogP5.04
Rot. Bonds9

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

2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 17247121) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID17247121
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCN(c1ccc(OCC(=O)Nc2ccc(C(C)C)cc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-4-27(32(29,30)24-8-6-5-7-9-24)22-14-16-23(17-15-22)31-18-25(28)26-21-12-10-20(11-13-21)19(2)3/h5-17,19H,4,18H2,1-3H3,(H,26,28)
InChIKeyHVOXLPVRLVTFHI-UHFFFAOYSA-N
XLogP5.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1294898
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-phenylacetamide
CID 17247287
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 92649203
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-chlorophenyl)acetamide
CID 17247126
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide
CID 92649173
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
CID 17247177
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]acetic acid
CID 92649142
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-chloro-2-methylphenyl)acetamide
CID 17247131
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171602
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-pentan-3-ylacetamide
CID 7613163

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide (CID 17247121) is 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide is CCN(c1ccc(OCC(=O)Nc2ccc(C(C)C)cc2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is HVOXLPVRLVTFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-27(32(29,30)24-8-6-5-7-9-24)22-14-16-23(17-15-22)31-18-25(28)26-21-12-10-20(11-13-21)19(2)3/h5-17,19H,4,18H2,1-3H3,(H,26,28).
What are the key properties of 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide?
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 452.58 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 17247121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).