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

C23H28N2O6S — CID 2943450

IUPACethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H28N2O6S/c1-2-30-23(27)17-8-10-18(11-9-17)24-22(26)16-31-20-12-14-21(15-13-20)32(28,29)25-19-6-4-3-5-7-19/h8-15,19,25H,2-7,16H2,1H3,(H,24,26)
InChIKeyMUZGCMVEENMLMT-UHFFFAOYSA-N
MW460.55 g/mol
LogP3.49
Rot. Bonds9

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

ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate (PubChem CID 2943450) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
PubChem CID2943450
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC Nameethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H28N2O6S/c1-2-30-23(27)17-8-10-18(11-9-17)24-22(26)16-31-20-12-14-21(15-13-20)32(28,29)25-19-6-4-3-5-7-19/h8-15,19,25H,2-7,16H2,1H3,(H,24,26)
InChIKeyMUZGCMVEENMLMT-UHFFFAOYSA-N
XLogP3.49
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 45374668
N-(4-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374352
ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate
CID 38924617
ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 45375322
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 4511876
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 45375249
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 1317115
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
N-(1,3-benzodioxol-5-yl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1082985
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 45374112
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17353443

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate (CID 2943450) is ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate?
The InChIKey is MUZGCMVEENMLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-2-30-23(27)17-8-10-18(11-9-17)24-22(26)16-31-20-12-14-21(15-13-20)32(28,29)25-19-6-4-3-5-7-19/h8-15,19,25H,2-7,16H2,1H3,(H,24,26).
What are the key properties of ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate?
ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate has a molecular weight of 460.55 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 2943450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).