2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide

C21H28N2O4S — CID 126392144

IUPAC2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C
InChIInChI=1S/C21H28N2O4S/c1-4-8-17(3)23-21(24)15-27-20-12-11-19(13-16(20)2)28(25,26)22-14-18-9-6-5-7-10-18/h5-7,9-13,17,22H,4,8,14-15H2,1-3H3,(H,23,24)/t17-/m1/s1
InChIKeyAREPOFDFIGSKPJ-QGZVFWFLSA-N
MW404.53 g/mol
LogP3.16
Rot. Bonds10

About 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide

2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide (PubChem CID 126392144) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide
PubChem CID126392144
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C
InChIInChI=1S/C21H28N2O4S/c1-4-8-17(3)23-21(24)15-27-20-12-11-19(13-16(20)2)28(25,26)22-14-18-9-6-5-7-10-18/h5-7,9-13,17,22H,4,8,14-15H2,1-3H3,(H,23,24)/t17-/m1/s1
InChIKeyAREPOFDFIGSKPJ-QGZVFWFLSA-N
XLogP3.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126395923
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402102
2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetic acid
CID 2228874
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402094
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[1-(4-bromophenyl)ethyl]acetamide
CID 43873557
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873559
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28555152
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
CID 28555179
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,6-diethylphenyl)acetamide
CID 126397975
2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 41032281
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide
CID 126394650
4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide
CID 126393732

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide?
The IUPAC name of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide (CID 126392144) is 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide?
The canonical SMILES for 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide is CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C.
What is the InChIKey of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide?
The InChIKey is AREPOFDFIGSKPJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-4-8-17(3)23-21(24)15-27-20-12-11-19(13-16(20)2)28(25,26)22-14-18-9-6-5-7-10-18/h5-7,9-13,17,22H,4,8,14-15H2,1-3H3,(H,23,24)/t17-/m1/s1.
What are the key properties of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide?
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide has a molecular weight of 404.53 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide is sourced from PubChem (CID 126392144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).