2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide

C25H27N3O5S — CID 55959451

IUPAC2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C25H27N3O5S/c1-17-8-9-18(2)23(16-17)34(31,32)28-22-7-5-4-6-21(22)25(30)27-15-14-26-24(29)19-10-12-20(33-3)13-11-19/h4-13,16,28H,14-15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyCNSJPLFGLPQXEZ-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.27
Rot. Bonds9

About 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide

2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide (PubChem CID 55959451) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
PubChem CID55959451
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C25H27N3O5S/c1-17-8-9-18(2)23(16-17)34(31,32)28-22-7-5-4-6-21(22)25(30)27-15-14-26-24(29)19-10-12-20(33-3)13-11-19/h4-13,16,28H,14-15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyCNSJPLFGLPQXEZ-UHFFFAOYSA-N
XLogP3.27
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide
CID 35990962
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 126412703
N-[(4-methoxyphenyl)methyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2234266
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 112770794
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4303867
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778064
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 29238976
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 25391058
N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 119507136

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide (CID 55959451) is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide is COc1ccc(C(=O)NCCNC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide?
The InChIKey is CNSJPLFGLPQXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-17-8-9-18(2)23(16-17)34(31,32)28-22-7-5-4-6-21(22)25(30)27-15-14-26-24(29)19-10-12-20(33-3)13-11-19/h4-13,16,28H,14-15H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide?
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide has a molecular weight of 481.57 g/mol, XLogP of 3.27, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 55959451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).