N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C17H28N2O3S — CID 33076936

IUPACN-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)CCCNC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C17H28N2O3S/c1-13(2)7-6-12-18-17(20)15-8-10-16(11-9-15)23(21,22)19(5)14(3)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,18,20)
InChIKeyWVGXPKOCVFDEDA-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.88
Rot. Bonds8

About N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 33076936) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID33076936
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)CCCNC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C17H28N2O3S/c1-13(2)7-6-12-18-17(20)15-8-10-16(11-9-15)23(21,22)19(5)14(3)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,18,20)
InChIKeyWVGXPKOCVFDEDA-UHFFFAOYSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297875
N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55656712
N-[2-(2-methoxyethoxy)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55685287
4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119394399
4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 49032493
N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119621364
4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+)
CID 171640058
2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide
CID 32612809
4-[hydroxy(dimethyl)silyl]-N-(4-methylpentyl)benzamide
CID 157299766
N-(2-methylbutan-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51320644
4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 110417973
N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 110764850

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 33076936) is N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)CCCNC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1.
What is the InChIKey of N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is WVGXPKOCVFDEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-13(2)7-6-12-18-17(20)15-8-10-16(11-9-15)23(21,22)19(5)14(3)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,18,20).
What are the key properties of N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 340.49 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 33076936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).