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

C21H25FN2O4S — CID 3657367

IUPAC2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O4S/c1-15-13-19(29(26,27)24-18-5-3-2-4-6-18)11-12-20(15)28-14-21(25)23-17-9-7-16(22)8-10-17/h7-13,18,24H,2-6,14H2,1H3,(H,23,25)
InChIKeyDIAMPMRPTXTWLH-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.76
Rot. Bonds7

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

2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 3657367) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID3657367
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC Name2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O4S/c1-15-13-19(29(26,27)24-18-5-3-2-4-6-18)11-12-20(15)28-14-21(25)23-17-9-7-16(22)8-10-17/h7-13,18,24H,2-6,14H2,1H3,(H,23,25)
InChIKeyDIAMPMRPTXTWLH-UHFFFAOYSA-N
XLogP3.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
CID 4627515
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 100796699
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4627504
methyl 4-[[2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 126360795
N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 2237026
N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 100796591
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 1264165
N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
CID 35202091
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28554919
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 108807070

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide (CID 3657367) is 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide is Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is DIAMPMRPTXTWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-15-13-19(29(26,27)24-18-5-3-2-4-6-18)11-12-20(15)28-14-21(25)23-17-9-7-16(22)8-10-17/h7-13,18,24H,2-6,14H2,1H3,(H,23,25).
What are the key properties of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide?
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 420.51 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3657367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).