N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide

C17H20N2O3S — CID 51297821

IUPACN-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCCc1ccc(NC(=O)c2cc(S(=O)(=O)NC)ccc2C)cc1
InChIInChI=1S/C17H20N2O3S/c1-4-13-6-8-14(9-7-13)19-17(20)16-11-15(10-5-12(16)2)23(21,22)18-3/h5-11,18H,4H2,1-3H3,(H,19,20)
InChIKeyIVXGANMDVNKZRT-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.72
Rot. Bonds5

About N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide

N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide (PubChem CID 51297821) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
PubChem CID51297821
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCCc1ccc(NC(=O)c2cc(S(=O)(=O)NC)ccc2C)cc1
InChIInChI=1S/C17H20N2O3S/c1-4-13-6-8-14(9-7-13)19-17(20)16-11-15(10-5-12(16)2)23(21,22)18-3/h5-11,18H,4H2,1-3H3,(H,19,20)
InChIKeyIVXGANMDVNKZRT-UHFFFAOYSA-N
XLogP2.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 35708143
N-(4-ethoxyphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297742
N-(4-ethylphenyl)-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26697270
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190078
2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55909075
2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide
CID 55846368
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 49202639
N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
CID 42940283
N-(2,4-dimethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297738
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide (CID 51297821) is N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide is CCc1ccc(NC(=O)c2cc(S(=O)(=O)NC)ccc2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide?
The InChIKey is IVXGANMDVNKZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-4-13-6-8-14(9-7-13)19-17(20)16-11-15(10-5-12(16)2)23(21,22)18-3/h5-11,18H,4H2,1-3H3,(H,19,20).
What are the key properties of N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide?
N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 51297821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).