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Ethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate

C24H30N2O6S — CID 55969332

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CCCCC1
InChIInChI=1S/C24H30N2O6S/c1-4-32-23(28)24(16-8-5-9-17-24)25-22(27)18-12-14-19(15-13-18)33(29,30)26(2)20-10-6-7-11-21(20)31-3/h6-7,10-15H,4-5,8-9,16-17H2,1-3H3,(H,25,27)
InChIKeyBSPGXIWRNHCJEZ-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.52
Rot. Bonds8

About Ethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate

Ethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate (PubChem CID 55969332) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is ethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound NameEthyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate
PubChem CID55969332
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC Nameethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CCCCC1
InChIInChI=1S/C24H30N2O6S/c1-4-32-23(28)24(16-8-5-9-17-24)25-22(27)18-12-14-19(15-13-18)33(29,30)26(2)20-10-6-7-11-21(20)31-3/h6-7,10-15H,4-5,8-9,16-17H2,1-3H3,(H,25,27)
InChIKeyBSPGXIWRNHCJEZ-UHFFFAOYSA-N
XLogP3.52
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Ethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of Ethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate (CID 55969332) is ethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for Ethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for Ethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate is CCOC(=O)C1(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CCCCC1.
What is the InChIKey of Ethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate?
The InChIKey is BSPGXIWRNHCJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-4-32-23(28)24(16-8-5-9-17-24)25-22(27)18-12-14-19(15-13-18)33(29,30)26(2)20-10-6-7-11-21(20)31-3/h6-7,10-15H,4-5,8-9,16-17H2,1-3H3,(H,25,27).
What are the key properties of Ethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate?
Ethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate has a molecular weight of 474.58 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 55969332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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