2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-methylsulfonylphenyl)acetamide

C23H24N2O6S2 — CID 4845015

IUPAC2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C23H24N2O6S2/c1-17-4-12-22(13-5-17)33(29,30)25(2)19-8-10-20(11-9-19)31-16-23(26)24-18-6-14-21(15-7-18)32(3,27)28/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyULMVNTHYNAHTQU-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.24
Rot. Bonds8

About 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-methylsulfonylphenyl)acetamide

2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 4845015) has the molecular formula C23H24N2O6S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-methylsulfonylphenyl)acetamide
PubChem CID4845015
Molecular FormulaC23H24N2O6S2
Molecular Weight488.59 g/mol
Exact Mass488.11
IUPAC Name2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C23H24N2O6S2/c1-17-4-12-22(13-5-17)33(29,30)25(2)19-8-10-20(11-9-19)31-16-23(26)24-18-6-14-21(15-7-18)32(3,27)28/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyULMVNTHYNAHTQU-UHFFFAOYSA-N
XLogP3.24
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2087429
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide
CID 4047705
2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4668478
[2-(3,5-Dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 4783113
2-(2-benzylphenoxy)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16313859
4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 1277944
2-[N-(4-Methoxyphenyl)benzenesulfonamido]-N-(2-{[(4-methylphenyl)methyl]sulfanyl}ethyl)acetamide
CID 2250010
4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2917766
4-(diethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2926629
2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1144627
2-(Methyl-{3-[methyl-(4-sulfamoyl-benzyl)-amino]-propyl}-amino)-N-(4-phenoxy-phenyl)-acetamide
CID 44567644

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-methylsulfonylphenyl)acetamide (CID 4845015) is 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-methylsulfonylphenyl)acetamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is ULMVNTHYNAHTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S2/c1-17-4-12-22(13-5-17)33(29,30)25(2)19-8-10-20(11-9-19)31-16-23(26)24-18-6-14-21(15-7-18)32(3,27)28/h4-15H,16H2,1-3H3,(H,24,26).
What are the key properties of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-methylsulfonylphenyl)acetamide?
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 488.59 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 4845015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).