2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C18H26N2O5S — CID 3498184

IUPAC2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1
InChIInChI=1S/C18H26N2O5S/c1-3-20(4-2)26(24,25)14-11-9-13(10-12-14)19-17(21)15-7-5-6-8-16(15)18(22)23/h9-12,15-16H,3-8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyIIYSHQJDIJQHLK-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.55
Rot. Bonds7

About 2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 3498184) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is 2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID3498184
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1
InChIInChI=1S/C18H26N2O5S/c1-3-20(4-2)26(24,25)14-11-9-13(10-12-14)19-17(21)15-7-5-6-8-16(15)18(22)23/h9-12,15-16H,3-8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyIIYSHQJDIJQHLK-UHFFFAOYSA-N
XLogP2.55
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 3498184) is 2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is IIYSHQJDIJQHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-3-20(4-2)26(24,25)14-11-9-13(10-12-14)19-17(21)15-7-5-6-8-16(15)18(22)23/h9-12,15-16H,3-8H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 382.48 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 3498184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).