3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide

C17H28N2O4S — CID 35812177

IUPAC3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H28N2O4S/c1-6-7-8-11-18-16(20)13-9-10-14(23-5)15(12-13)24(21,22)19-17(2,3)4/h9-10,12,19H,6-8,11H2,1-5H3,(H,18,20)
InChIKeyYYRMYJIBEDJSEN-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.69
Rot. Bonds8

About 3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide

3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide (PubChem CID 35812177) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide
PubChem CID35812177
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H28N2O4S/c1-6-7-8-11-18-16(20)13-9-10-14(23-5)15(12-13)24(21,22)19-17(2,3)4/h9-10,12,19H,6-8,11H2,1-5H3,(H,18,20)
InChIKeyYYRMYJIBEDJSEN-UHFFFAOYSA-N
XLogP2.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(hexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65397075
N-butyl-3-(tert-butylsulfamoyl)-N-ethyl-4-methoxybenzamide
CID 51166061
3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 39731063
4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742279
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 45373616
2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide
CID 39454552
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119432718
3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 31610027
2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride
CID 65368631
N-(3-ethoxypropyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373708

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide (CID 35812177) is 3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide is CCCCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide?
The InChIKey is YYRMYJIBEDJSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-6-7-8-11-18-16(20)13-9-10-14(23-5)15(12-13)24(21,22)19-17(2,3)4/h9-10,12,19H,6-8,11H2,1-5H3,(H,18,20).
What are the key properties of 3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide?
3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide has a molecular weight of 356.49 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide is sourced from PubChem (CID 35812177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).