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

C22H22N2O4S — CID 17247012

IUPAC2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-17-8-10-18(11-9-17)23-22(25)16-28-20-14-12-19(13-15-20)24(2)29(26,27)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyNJYWXSOTZMPQJK-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.84
Rot. Bonds7

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

2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 17247012) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID17247012
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-17-8-10-18(11-9-17)23-22(25)16-28-20-14-12-19(13-15-20)24(2)29(26,27)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyNJYWXSOTZMPQJK-UHFFFAOYSA-N
XLogP3.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 17247227
N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide
CID 100787567
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
CID 17247048
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-phenylacetamide
CID 17247287
N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247189
2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid
CID 4839549
2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
CID 3602002
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 92649114
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide
CID 4882629
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-hydroxyethyl)acetamide
CID 92649083
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 41179929

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide (CID 17247012) is 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is NJYWXSOTZMPQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-17-8-10-18(11-9-17)23-22(25)16-28-20-14-12-19(13-15-20)24(2)29(26,27)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,23,25).
What are the key properties of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide?
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 410.50 g/mol, XLogP of 3.84, 7 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 17247012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).