N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide

C17H26N2O3S — CID 51191477

IUPACN-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-18-23(21,22)16-11-8-14(9-12-16)10-13-17(20)19(2)15-6-4-3-5-7-15/h8-9,11-12,15,18H,3-7,10,13H2,1-2H3
InChIKeyGWNPFELCTOIRON-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.32
Rot. Bonds6

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

N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 51191477) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID51191477
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-18-23(21,22)16-11-8-14(9-12-16)10-13-17(20)19(2)15-6-4-3-5-7-15/h8-9,11-12,15,18H,3-7,10,13H2,1-2H3
InChIKeyGWNPFELCTOIRON-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180741
N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 119442142
N-methyl-N-[(4-methylphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18114332
N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 60558334
N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide
CID 110355911
N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide
CID 90649211
N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119591484
3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide
CID 112760384
N-cyclooctyl-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide
CID 71934799
3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide
CID 91768015
2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid
CID 119192719
N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 78794208

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 51191477) is N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is GWNPFELCTOIRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-18-23(21,22)16-11-8-14(9-12-16)10-13-17(20)19(2)15-6-4-3-5-7-15/h8-9,11-12,15,18H,3-7,10,13H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 338.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 51191477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).