N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

C21H28N2O4S — CID 8886328

IUPACN-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCCCCCCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1
InChIInChI=1S/C21H28N2O4S/c1-4-5-6-9-16-22-21(24)17-12-14-18(15-13-17)28(25,26)23(2)19-10-7-8-11-20(19)27-3/h7-8,10-15H,4-6,9,16H2,1-3H3,(H,22,24)
InChIKeyITFGQQOLJKVTSM-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.83
Rot. Bonds10

About N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 8886328) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID8886328
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCCCCCCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1
InChIInChI=1S/C21H28N2O4S/c1-4-5-6-9-16-22-21(24)17-12-14-18(15-13-17)28(25,26)23(2)19-10-7-8-11-20(19)27-3/h7-8,10-15H,4-6,9,16H2,1-3H3,(H,22,24)
InChIKeyITFGQQOLJKVTSM-UHFFFAOYSA-N
XLogP3.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119433863
N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119408674
N-[4-(4-fluorophenoxy)butyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55446636
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
CID 27298108
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837936
N-(cyclopropylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 34821290
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 4787817
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46635569
4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide
CID 109060818
(2-butoxy-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 16569078
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (CID 8886328) is N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is CCCCCCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1.
What is the InChIKey of N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is ITFGQQOLJKVTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-4-5-6-9-16-22-21(24)17-12-14-18(15-13-17)28(25,26)23(2)19-10-7-8-11-20(19)27-3/h7-8,10-15H,4-6,9,16H2,1-3H3,(H,22,24).
What are the key properties of N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 8886328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).