N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide

C19H24N2O4S — CID 109065294

IUPACN-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(S(=O)(=O)NCCC(C)C)c2)c1
InChIInChI=1S/C19H24N2O4S/c1-14(2)10-11-20-26(23,24)18-9-4-6-15(12-18)19(22)21-16-7-5-8-17(13-16)25-3/h4-9,12-14,20H,10-11H2,1-3H3,(H,21,22)
InChIKeyDCPITNPXSBNXIX-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.27
Rot. Bonds8

About N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide

N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide (PubChem CID 109065294) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide
PubChem CID109065294
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(S(=O)(=O)NCCC(C)C)c2)c1
InChIInChI=1S/C19H24N2O4S/c1-14(2)10-11-20-26(23,24)18-9-4-6-15(12-18)19(22)21-16-7-5-8-17(13-16)25-3/h4-9,12-14,20H,10-11H2,1-3H3,(H,21,22)
InChIKeyDCPITNPXSBNXIX-UHFFFAOYSA-N
XLogP3.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 55565688
N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide
CID 109065274
N-(4-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061946
N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27167566
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 109065280
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate
CID 109061963
N-(3-methoxyphenyl)-4-(pentylsulfamoyl)benzamide
CID 109061401
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 17480198
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide?
The IUPAC name of N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide (CID 109065294) is N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide is COc1cccc(NC(=O)c2cccc(S(=O)(=O)NCCC(C)C)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide?
The InChIKey is DCPITNPXSBNXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14(2)10-11-20-26(23,24)18-9-4-6-15(12-18)19(22)21-16-7-5-8-17(13-16)25-3/h4-9,12-14,20H,10-11H2,1-3H3,(H,21,22).
What are the key properties of N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide?
N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide has a molecular weight of 376.48 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide is sourced from PubChem (CID 109065294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).