N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide

C20H26N2O3S — CID 109065274

IUPACN-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)NCCC(C)C)c1
InChIInChI=1S/C20H26N2O3S/c1-14(2)11-12-21-26(24,25)18-10-6-9-17(13-18)20(23)22-19-15(3)7-5-8-16(19)4/h5-10,13-14,21H,11-12H2,1-4H3,(H,22,23)
InChIKeyCHHTYNVZDNWDHN-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.88
Rot. Bonds7

About N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide

N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide (PubChem CID 109065274) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide
PubChem CID109065274
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)NCCC(C)C)c1
InChIInChI=1S/C20H26N2O3S/c1-14(2)11-12-21-26(24,25)18-10-6-9-17(13-18)20(23)22-19-15(3)7-5-8-16(19)4/h5-10,13-14,21H,11-12H2,1-4H3,(H,22,23)
InChIKeyCHHTYNVZDNWDHN-UHFFFAOYSA-N
XLogP3.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061918
3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 109065280
N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061292
N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide
CID 109065294
3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 109064621
N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062702
3-[2-(dimethylamino)ethylsulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 109064018
N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide
CID 109065314
4-(3-methylbutylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 109061277
N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide
CID 109064737
3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 134019674
3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109062953

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide (CID 109065274) is N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide is Cc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)NCCC(C)C)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide?
The InChIKey is CHHTYNVZDNWDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14(2)11-12-21-26(24,25)18-10-6-9-17(13-18)20(23)22-19-15(3)7-5-8-16(19)4/h5-10,13-14,21H,11-12H2,1-4H3,(H,22,23).
What are the key properties of N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide?
N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide is sourced from PubChem (CID 109065274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).