2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide

C22H23N3O6S2 — CID 126309888

IUPAC2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C22H23N3O6S2/c1-25(15-17-5-3-2-4-6-17)33(29,30)21-13-9-19(10-14-21)31-16-22(26)24-18-7-11-20(12-8-18)32(23,27)28/h2-14H,15-16H2,1H3,(H,24,26)(H2,23,27,28)
InChIKeyOFYOPEHCROYEQA-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.17
Rot. Bonds9

About 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide

2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 126309888) has the molecular formula C22H23N3O6S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
PubChem CID126309888
Molecular FormulaC22H23N3O6S2
Molecular Weight489.58 g/mol
Exact Mass489.10
IUPAC Name2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C22H23N3O6S2/c1-25(15-17-5-3-2-4-6-17)33(29,30)21-13-9-19(10-14-21)31-16-22(26)24-18-7-11-20(12-8-18)32(23,27)28/h2-14H,15-16H2,1H3,(H,24,26)(H2,23,27,28)
InChIKeyOFYOPEHCROYEQA-UHFFFAOYSA-N
XLogP2.17
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 3318426
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 3921360
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxyacetamide
CID 3417784
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100801141
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide
CID 3418325
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(3,5-dichlorophenyl)acetamide
CID 126327645
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 3652975
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126315410
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99967933
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide
CID 4634495
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 126330609
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(2,6-dichlorophenyl)acetamide
CID 126328873

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide (CID 126309888) is 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is OFYOPEHCROYEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S2/c1-25(15-17-5-3-2-4-6-17)33(29,30)21-13-9-19(10-14-21)31-16-22(26)24-18-7-11-20(12-8-18)32(23,27)28/h2-14H,15-16H2,1H3,(H,24,26)(H2,23,27,28).
What are the key properties of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 489.58 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 126309888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).