methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate

C22H26N2O6S — CID 45374668

IUPACmethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O6S/c1-29-22(26)16-7-9-17(10-8-16)23-21(25)15-30-19-11-13-20(14-12-19)31(27,28)24-18-5-3-2-4-6-18/h7-14,18,24H,2-6,15H2,1H3,(H,23,25)
InChIKeyQCEMRJWZEBRTKY-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.10
Rot. Bonds8

About methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate

methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate (PubChem CID 45374668) has the molecular formula C22H26N2O6S and a molecular weight of 446.53 g/mol. Its IUPAC name is methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
PubChem CID45374668
Molecular FormulaC22H26N2O6S
Molecular Weight446.53 g/mol
Exact Mass446.15
IUPAC Namemethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O6S/c1-29-22(26)16-7-9-17(10-8-16)23-21(25)15-30-19-11-13-20(14-12-19)31(27,28)24-18-5-3-2-4-6-18/h7-14,18,24H,2-6,15H2,1H3,(H,23,25)
InChIKeyQCEMRJWZEBRTKY-UHFFFAOYSA-N
XLogP3.10
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 2943450
N-(4-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374352
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 4511876
methyl 4-[[2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 126360795
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 45375249
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17353443
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4627504
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
N-(1,3-benzodioxol-5-yl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1082985
N-(3-bromophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1315890
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 28551952
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 1317115

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate (CID 45374668) is methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The InChIKey is QCEMRJWZEBRTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6S/c1-29-22(26)16-7-9-17(10-8-16)23-21(25)15-30-19-11-13-20(14-12-19)31(27,28)24-18-5-3-2-4-6-18/h7-14,18,24H,2-6,15H2,1H3,(H,23,25).
What are the key properties of methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate?
methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate has a molecular weight of 446.53 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 45374668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).