3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide

C18H22N2O3S — CID 961911

IUPAC3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C18H22N2O3S/c1-5-19-18(21)15-9-8-14(4)17(11-15)24(22,23)20-16-10-12(2)6-7-13(16)3/h6-11,20H,5H2,1-4H3,(H,19,21)
InChIKeyLORHSIYXTFVXEQ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.16
Rot. Bonds5

About 3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide

3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide (PubChem CID 961911) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide
PubChem CID961911
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C18H22N2O3S/c1-5-19-18(21)15-9-8-14(4)17(11-15)24(22,23)20-16-10-12(2)6-7-13(16)3/h6-11,20H,5H2,1-4H3,(H,19,21)
InChIKeyLORHSIYXTFVXEQ-UHFFFAOYSA-N
XLogP3.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 43905793
N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415166
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 126412703
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 126388378
N-(4-chloro-2-methylphenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3361806
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 2237130
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3469955
N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126412486
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 92674095
N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 5141734
N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4530287
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 126413796

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide (CID 961911) is 3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide?
The InChIKey is LORHSIYXTFVXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-5-19-18(21)15-9-8-14(4)17(11-15)24(22,23)20-16-10-12(2)6-7-13(16)3/h6-11,20H,5H2,1-4H3,(H,19,21).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide?
3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide has a molecular weight of 346.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 961911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).