N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide

C18H23N3O3S — CID 109064786

IUPACN-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
SMILESCC(C)CCNC(=O)c1cccc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C18H23N3O3S/c1-14(2)9-11-20-18(22)15-6-5-8-17(12-15)25(23,24)21-13-16-7-3-4-10-19-16/h3-8,10,12,14,21H,9,11,13H2,1-2H3,(H,20,22)
InChIKeyDFPIRIDLHCKSDJ-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.34
Rot. Bonds8

About N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide

N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide (PubChem CID 109064786) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
PubChem CID109064786
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
SMILESCC(C)CCNC(=O)c1cccc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C18H23N3O3S/c1-14(2)9-11-20-18(22)15-6-5-8-17(12-15)25(23,24)21-13-16-7-3-4-10-19-16/h3-8,10,12,14,21H,9,11,13H2,1-2H3,(H,20,22)
InChIKeyDFPIRIDLHCKSDJ-UHFFFAOYSA-N
XLogP2.34
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064781
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064542
N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064805
N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide
CID 109065314
3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105910
N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
CID 119497312
3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109064177
N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064675
3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 18072891
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064830
N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065328
N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide
CID 109064737

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide (CID 109064786) is N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide is CC(C)CCNC(=O)c1cccc(S(=O)(=O)NCc2ccccn2)c1.
What is the InChIKey of N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide?
The InChIKey is DFPIRIDLHCKSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14(2)9-11-20-18(22)15-6-5-8-17(12-15)25(23,24)21-13-16-7-3-4-10-19-16/h3-8,10,12,14,21H,9,11,13H2,1-2H3,(H,20,22).
What are the key properties of N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide?
N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide has a molecular weight of 361.47 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109064786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).