N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide

C25H30N4O3S — CID 112840794

IUPACN-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide
SMILESCCCCNC(=O)c1ccc(CNc2ccc(S(=O)(=O)N(CC)c3ccccc3)cn2)cc1
InChIInChI=1S/C25H30N4O3S/c1-3-5-17-26-25(30)21-13-11-20(12-14-21)18-27-24-16-15-23(19-28-24)33(31,32)29(4-2)22-9-7-6-8-10-22/h6-16,19H,3-5,17-18H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyBHJYRFBATWUIEC-UHFFFAOYSA-N
MW466.61 g/mol
LogP4.44
Rot. Bonds11

About N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide

N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide (PubChem CID 112840794) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide
PubChem CID112840794
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC NameN-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide
SMILESCCCCNC(=O)c1ccc(CNc2ccc(S(=O)(=O)N(CC)c3ccccc3)cn2)cc1
InChIInChI=1S/C25H30N4O3S/c1-3-5-17-26-25(30)21-13-11-20(12-14-21)18-27-24-16-15-23(19-28-24)33(31,32)29(4-2)22-9-7-6-8-10-22/h6-16,19H,3-5,17-18H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyBHJYRFBATWUIEC-UHFFFAOYSA-N
XLogP4.44
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide
CID 112798825
N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
CID 9196231
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 4797803
N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
CID 60570329
N-(2-acetamidoethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 9467905
6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 55828070
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide
CID 9111880
4-[ethyl(phenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 2093106
N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide
CID 60502755
N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide
CID 9281334
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903412

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide?
The IUPAC name of N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide (CID 112840794) is N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide.
What is the SMILES notation for N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide?
The canonical SMILES for N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide is CCCCNC(=O)c1ccc(CNc2ccc(S(=O)(=O)N(CC)c3ccccc3)cn2)cc1.
What is the InChIKey of N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide?
The InChIKey is BHJYRFBATWUIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-3-5-17-26-25(30)21-13-11-20(12-14-21)18-27-24-16-15-23(19-28-24)33(31,32)29(4-2)22-9-7-6-8-10-22/h6-16,19H,3-5,17-18H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide?
N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide has a molecular weight of 466.61 g/mol, XLogP of 4.44, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide is sourced from PubChem (CID 112840794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).