4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

C17H24N2O5S — CID 120672900

IUPAC4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCS(=O)(=O)NCc2ccccc2)CC1
InChIInChI=1S/C17H24N2O5S/c20-16(14-6-8-15(9-7-14)17(21)22)18-10-11-25(23,24)19-12-13-4-2-1-3-5-13/h1-5,14-15,19H,6-12H2,(H,18,20)(H,21,22)
InChIKeyFHPOHEYVGAIOTF-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.11
Rot. Bonds8

About 4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672900) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672900
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCS(=O)(=O)NCc2ccccc2)CC1
InChIInChI=1S/C17H24N2O5S/c20-16(14-6-8-15(9-7-14)17(21)22)18-10-11-25(23,24)19-12-13-4-2-1-3-5-13/h1-5,14-15,19H,6-12H2,(H,18,20)(H,21,22)
InChIKeyFHPOHEYVGAIOTF-UHFFFAOYSA-N
XLogP1.11
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119723701
4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106341830
4-(3-benzylsulfonylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672800
N-[2-(benzylsulfamoyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119723679
2-amino-N-[2-(benzylsulfamoyl)ethyl]acetamide
CID 119289553
(3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 124625875
N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119723698
4-[(benzylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525485
4-(2-methylsulfonylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784503
(2R,3S)-N-[2-(benzylsulfamoyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924330
N-benzyl-4-hydroxycyclohexane-1-carboxamide
CID 21217684
N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide
CID 55795602

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120672900) is 4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCCS(=O)(=O)NCc2ccccc2)CC1.
What is the InChIKey of 4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is FHPOHEYVGAIOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c20-16(14-6-8-15(9-7-14)17(21)22)18-10-11-25(23,24)19-12-13-4-2-1-3-5-13/h1-5,14-15,19H,6-12H2,(H,18,20)(H,21,22).
What are the key properties of 4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 368.46 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).