4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide

C24H27N3O5S — CID 55844031

IUPAC4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
SMILESCOCCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cn1
InChIInChI=1S/C24H27N3O5S/c1-17-4-5-18(2)22(14-17)33(29,30)27-21-9-7-20(8-10-21)24(28)26-16-19-6-11-23(25-15-19)32-13-12-31-3/h4-11,14-15,27H,12-13,16H2,1-3H3,(H,26,28)
InChIKeyLGSXBTXEPIHPFW-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.45
Rot. Bonds10

About 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide

4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide (PubChem CID 55844031) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
PubChem CID55844031
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
SMILESCOCCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cn1
InChIInChI=1S/C24H27N3O5S/c1-17-4-5-18(2)22(14-17)33(29,30)27-21-9-7-20(8-10-21)24(28)26-16-19-6-11-23(25-15-19)32-13-12-31-3/h4-11,14-15,27H,12-13,16H2,1-3H3,(H,26,28)
InChIKeyLGSXBTXEPIHPFW-UHFFFAOYSA-N
XLogP3.45
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 46462488
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 4238415
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 24517108
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 47042424
6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
CID 53120026
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55702862
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide
CID 55783632
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26447378
[4-[(6-chloro-3-pyridinyl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate
CID 60532432

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide (CID 55844031) is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide is COCCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cn1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
The InChIKey is LGSXBTXEPIHPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-17-4-5-18(2)22(14-17)33(29,30)27-21-9-7-20(8-10-21)24(28)26-16-19-6-11-23(25-15-19)32-13-12-31-3/h4-11,14-15,27H,12-13,16H2,1-3H3,(H,26,28).
What are the key properties of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide has a molecular weight of 469.56 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55844031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).