N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide

C22H28N2O4S — CID 2237026

IUPACN-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C22H28N2O4S/c1-17-14-20(29(26,27)24-19-10-6-3-7-11-19)12-13-21(17)28-16-22(25)23-15-18-8-4-2-5-9-18/h2,4-5,8-9,12-14,19,24H,3,6-7,10-11,15-16H2,1H3,(H,23,25)
InChIKeyFPQPVYXNFJDVGR-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.30
Rot. Bonds8

About N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide

N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide (PubChem CID 2237026) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
PubChem CID2237026
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C22H28N2O4S/c1-17-14-20(29(26,27)24-19-10-6-3-7-11-19)12-13-21(17)28-16-22(25)23-15-18-8-4-2-5-9-18/h2,4-5,8-9,12-14,19,24H,3,6-7,10-11,15-16H2,1H3,(H,23,25)
InChIKeyFPQPVYXNFJDVGR-UHFFFAOYSA-N
XLogP3.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide
CID 126394650
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide
CID 3657367
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 100796699
N-[(4-fluorophenyl)methyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 28555542
2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875153
N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
CID 35202091
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28554919
2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
CID 4627515
2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetic acid
CID 2228874
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 30126245
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28562658

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide?
The IUPAC name of N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide (CID 2237026) is N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide?
The canonical SMILES for N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide is Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide?
The InChIKey is FPQPVYXNFJDVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17-14-20(29(26,27)24-19-10-6-3-7-11-19)12-13-21(17)28-16-22(25)23-15-18-8-4-2-5-9-18/h2,4-5,8-9,12-14,19,24H,3,6-7,10-11,15-16H2,1H3,(H,23,25).
What are the key properties of N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide?
N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide has a molecular weight of 416.54 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide is sourced from PubChem (CID 2237026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).