3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide

C19H24N2O5S — CID 9096794

IUPAC3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)cc(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-19(2,3)21-27(23,24)17-8-6-7-13(9-17)18(22)20-14-10-15(25-4)12-16(11-14)26-5/h6-12,21H,1-5H3,(H,20,22)
InChIKeyTXRLERUCOJZIKK-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.03
Rot. Bonds6

About 3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide

3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide (PubChem CID 9096794) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
PubChem CID9096794
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)cc(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-19(2,3)21-27(23,24)17-8-6-7-13(9-17)18(22)20-14-10-15(25-4)12-16(11-14)26-5/h6-12,21H,1-5H3,(H,20,22)
InChIKeyTXRLERUCOJZIKK-UHFFFAOYSA-N
XLogP3.03
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide
CID 3387359
3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 8762521
3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 9098405
N-(3-hydroxy-5-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 75452209
3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide
CID 9411270
3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide
CID 167966426
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide
CID 18106096
3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 8714252
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790
3-(2-methoxyethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 55565688

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide (CID 9096794) is 3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide is COc1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)cc(OC)c1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide?
The InChIKey is TXRLERUCOJZIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-19(2,3)21-27(23,24)17-8-6-7-13(9-17)18(22)20-14-10-15(25-4)12-16(11-14)26-5/h6-12,21H,1-5H3,(H,20,22).
What are the key properties of 3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide?
3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide has a molecular weight of 392.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide is sourced from PubChem (CID 9096794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).