2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide

C28H26N2O4S — CID 17247085

IUPAC2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide
SMILESCN(c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H26N2O4S/c1-30(35(32,33)26-15-9-4-10-16-26)24-17-19-25(20-18-24)34-21-27(31)29-28(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-20,28H,21H2,1H3,(H,29,31)
InChIKeyUZOPOSJDANAQPI-UHFFFAOYSA-N
MW486.59 g/mol
LogP4.80
Rot. Bonds9

About 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide

2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide (PubChem CID 17247085) has the molecular formula C28H26N2O4S and a molecular weight of 486.59 g/mol. Its IUPAC name is 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide.

Molecular Properties

Compound Name2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide
PubChem CID17247085
Molecular FormulaC28H26N2O4S
Molecular Weight486.59 g/mol
Exact Mass486.16
IUPAC Name2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide
SMILESCN(c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H26N2O4S/c1-30(35(32,33)26-15-9-4-10-16-26)24-17-19-25(20-18-24)34-21-27(31)29-28(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-20,28H,21H2,1H3,(H,29,31)
InChIKeyUZOPOSJDANAQPI-UHFFFAOYSA-N
XLogP4.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30405340
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-hydroxyethyl)acetamide
CID 92649083
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 92649114
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 41179929
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide
CID 17247035
N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 7643459
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide
CID 4882629
N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 42989070
N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247189
N-benzhydryl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131464
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 93487645

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide?
The IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide (CID 17247085) is 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide.
What is the SMILES notation for 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide?
The canonical SMILES for 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide is CN(c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide?
The InChIKey is UZOPOSJDANAQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4S/c1-30(35(32,33)26-15-9-4-10-16-26)24-17-19-25(20-18-24)34-21-27(31)29-28(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-20,28H,21H2,1H3,(H,29,31).
What are the key properties of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide?
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide has a molecular weight of 486.59 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide is sourced from PubChem (CID 17247085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).