N-(2-methylbutyl)-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide

C18H23N3O3S — CID 58924189

IUPACN-(2-methylbutyl)-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide
SMILESCCC(C)CNC(=O)c1ccccc1S(=O)(=O)Nc1cncc(C)c1
InChIInChI=1S/C18H23N3O3S/c1-4-13(2)11-20-18(22)16-7-5-6-8-17(16)25(23,24)21-15-9-14(3)10-19-12-15/h5-10,12-13,21H,4,11H2,1-3H3,(H,20,22)
InChIKeyQCIZDUONHPABOA-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.97
Rot. Bonds7

About N-(2-methylbutyl)-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide

N-(2-methylbutyl)-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide (PubChem CID 58924189) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(2-methylbutyl)-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-methylbutyl)-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide
PubChem CID58924189
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(2-methylbutyl)-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide
SMILESCCC(C)CNC(=O)c1ccccc1S(=O)(=O)Nc1cncc(C)c1
InChIInChI=1S/C18H23N3O3S/c1-4-13(2)11-20-18(22)16-7-5-6-8-17(16)25(23,24)21-15-9-14(3)10-19-12-15/h5-10,12-13,21H,4,11H2,1-3H3,(H,20,22)
InChIKeyQCIZDUONHPABOA-UHFFFAOYSA-N
XLogP2.97
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-(2-methylbutyl)benzamide
CID 58924307
N-butyl-N-methyl-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide
CID 58924138
2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727391
N-ethyl-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-propylbenzamide
CID 58924348
5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 107584508
2-[(5-ethoxy-3-pyridinyl)sulfamoyl]-N-(2-methylbutan-2-yl)benzamide
CID 58924036
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 58924134
N-(3-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119997396
N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924121
N-[2-(2-chlorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924321
N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924260
N-(2-hydroxyethyl)-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 58924202

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-methylbutyl)-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide (CID 58924189) is N-(2-methylbutyl)-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-methylbutyl)-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-methylbutyl)-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide is CCC(C)CNC(=O)c1ccccc1S(=O)(=O)Nc1cncc(C)c1.
What is the InChIKey of N-(2-methylbutyl)-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide?
The InChIKey is QCIZDUONHPABOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-13(2)11-20-18(22)16-7-5-6-8-17(16)25(23,24)21-15-9-14(3)10-19-12-15/h5-10,12-13,21H,4,11H2,1-3H3,(H,20,22).
What are the key properties of N-(2-methylbutyl)-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide?
N-(2-methylbutyl)-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide has a molecular weight of 361.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide is sourced from PubChem (CID 58924189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).