N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide

C17H25N3O4S — CID 108942543

IUPACN'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H25N3O4S/c18-25(23,24)15-8-6-13(7-9-15)10-11-19-16(21)12-17(22)20-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,19,21)(H,20,22)(H2,18,23,24)
InChIKeyXBMAUACBALOOJT-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.83
Rot. Bonds7

About N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide

N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide (PubChem CID 108942543) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
PubChem CID108942543
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H25N3O4S/c18-25(23,24)15-8-6-13(7-9-15)10-11-19-16(21)12-17(22)20-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,19,21)(H,20,22)(H2,18,23,24)
InChIKeyXBMAUACBALOOJT-UHFFFAOYSA-N
XLogP0.83
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108958583
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60769664
2-(4-cyclopentylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 34422322
2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2698032
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 84575707
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea
CID 110776114
2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282
2-piperidin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide;hydrochloride
CID 119673755
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 30721204

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
The IUPAC name of N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide (CID 108942543) is N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide.
What is the SMILES notation for N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
The canonical SMILES for N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide is NS(=O)(=O)c1ccc(CCNC(=O)CC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
The InChIKey is XBMAUACBALOOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c18-25(23,24)15-8-6-13(7-9-15)10-11-19-16(21)12-17(22)20-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,19,21)(H,20,22)(H2,18,23,24).
What are the key properties of N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide has a molecular weight of 367.47 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide is sourced from PubChem (CID 108942543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).