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

C24H23N3O4S — CID 100801141

IUPAC2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC#N)cc2)cc1
InChIInChI=1S/C24H23N3O4S/c1-27(17-20-5-3-2-4-6-20)32(29,30)23-13-11-22(12-14-23)31-18-24(28)26-21-9-7-19(8-10-21)15-16-25/h2-14H,15,17-18H2,1H3,(H,26,28)
InChIKeyBNGQBIJSPQFUCJ-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.59
Rot. Bonds9

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

2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 100801141) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
PubChem CID100801141
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC#N)cc2)cc1
InChIInChI=1S/C24H23N3O4S/c1-27(17-20-5-3-2-4-6-20)32(29,30)23-13-11-22(12-14-23)31-18-24(28)26-21-9-7-19(8-10-21)15-16-25/h2-14H,15,17-18H2,1H3,(H,26,28)
InChIKeyBNGQBIJSPQFUCJ-UHFFFAOYSA-N
XLogP3.59
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126309888
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxyacetamide
CID 3417784
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
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide
CID 3418325
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 27287293
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide (CID 100801141) is 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC#N)cc2)cc1.
What is the InChIKey of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is BNGQBIJSPQFUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-27(17-20-5-3-2-4-6-20)32(29,30)23-13-11-22(12-14-23)31-18-24(28)26-21-9-7-19(8-10-21)15-16-25/h2-14H,15,17-18H2,1H3,(H,26,28).
What are the key properties of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide?
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 449.53 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 100801141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).