N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide

C21H28N2O3S — CID 109061292

IUPACN-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)NCCC(C)C)cc1
InChIInChI=1S/C21H28N2O3S/c1-5-17-8-6-7-16(4)20(17)23-21(24)18-9-11-19(12-10-18)27(25,26)22-14-13-15(2)3/h6-12,15,22H,5,13-14H2,1-4H3,(H,23,24)
InChIKeyYYYCYOHFMSAGLO-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.13
Rot. Bonds8

About N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide

N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide (PubChem CID 109061292) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
PubChem CID109061292
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)NCCC(C)C)cc1
InChIInChI=1S/C21H28N2O3S/c1-5-17-8-6-7-16(4)20(17)23-21(24)18-9-11-19(12-10-18)27(25,26)22-14-13-15(2)3/h6-12,15,22H,5,13-14H2,1-4H3,(H,23,24)
InChIKeyYYYCYOHFMSAGLO-UHFFFAOYSA-N
XLogP4.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylbutylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 109061277
N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide
CID 109065274
N-(2-ethyl-6-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 112770783
4-(cyclopropylsulfamoyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 109058401
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 112770782
4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 109061279
N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 112770779
N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061283
N-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109060624
N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061299
3-[2-(dimethylamino)ethylsulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 109064018
N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061303

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide (CID 109061292) is N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide is CCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)NCCC(C)C)cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide?
The InChIKey is YYYCYOHFMSAGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-17-8-6-7-16(4)20(17)23-21(24)18-9-11-19(12-10-18)27(25,26)22-14-13-15(2)3/h6-12,15,22H,5,13-14H2,1-4H3,(H,23,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide?
N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide has a molecular weight of 388.53 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide is sourced from PubChem (CID 109061292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).