N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide

C17H26N2O3S — CID 46605709

IUPACN-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NC2CCCCC2C)c1
InChIInChI=1S/C17H26N2O3S/c1-3-11-23(21,22)19-15-9-6-8-14(12-15)17(20)18-16-10-5-4-7-13(16)2/h6,8-9,12-13,16,19H,3-5,7,10-11H2,1-2H3,(H,18,20)
InChIKeyHJGFMXCAJWPGNX-UHFFFAOYSA-N
MW338.47 g/mol
LogP3.15
Rot. Bonds6

About N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide

N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide (PubChem CID 46605709) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide
PubChem CID46605709
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NC2CCCCC2C)c1
InChIInChI=1S/C17H26N2O3S/c1-3-11-23(21,22)19-15-9-6-8-14(12-15)17(20)18-16-10-5-4-7-13(16)2/h6,8-9,12-13,16,19H,3-5,7,10-11H2,1-2H3,(H,18,20)
InChIKeyHJGFMXCAJWPGNX-UHFFFAOYSA-N
XLogP3.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide
CID 112511038
3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 25348383
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
N-[(1R,2S)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164435
N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164433
3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide
CID 47034013
3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide
CID 43333330
2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide
CID 55978369
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
CID 7478902
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide
CID 134019044
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide (CID 46605709) is N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)NC2CCCCC2C)c1.
What is the InChIKey of N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide?
The InChIKey is HJGFMXCAJWPGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-11-23(21,22)19-15-9-6-8-14(12-15)17(20)18-16-10-5-4-7-13(16)2/h6,8-9,12-13,16,19H,3-5,7,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide?
N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide has a molecular weight of 338.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 46605709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).