N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide

C18H28N2O3S — CID 51180741

IUPACN-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-19-24(22,23)17-12-9-15(10-13-17)11-14-18(21)20-16-7-5-3-2-4-6-8-16/h9-10,12-13,16,19H,2-8,11,14H2,1H3,(H,20,21)
InChIKeyAMRVLTFSLNPXQD-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.76
Rot. Bonds6

About N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide

N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 51180741) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID51180741
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-19-24(22,23)17-12-9-15(10-13-17)11-14-18(21)20-16-7-5-3-2-4-6-8-16/h9-10,12-13,16,19H,2-8,11,14H2,1H3,(H,20,21)
InChIKeyAMRVLTFSLNPXQD-UHFFFAOYSA-N
XLogP2.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 110353893
N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119591484
N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119604290
N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51191477
N-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide
CID 34283045
N-cyclopentyl-3-(4-propan-2-ylphenyl)propanamide
CID 19221387
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 55945493
3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide
CID 91768015
3-[4-(cyclopropylsulfamoyl)phenyl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424393
3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide
CID 32545458
3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide
CID 115055960

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 51180741) is N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is AMRVLTFSLNPXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-19-24(22,23)17-12-9-15(10-13-17)11-14-18(21)20-16-7-5-3-2-4-6-8-16/h9-10,12-13,16,19H,2-8,11,14H2,1H3,(H,20,21).
What are the key properties of N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 352.50 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 51180741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).