N-(2-hydroxyphenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide

C28H26N2O5S — CID 162645391

IUPACN-(2-hydroxyphenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2CCc2ccc(C(=O)Nc3ccccc3O)cc2)cc1
InChIInChI=1S/C28H26N2O5S/c1-35-23-16-18-24(19-17-23)36(33,34)30-25-7-3-2-6-21(25)13-10-20-11-14-22(15-12-20)28(32)29-26-8-4-5-9-27(26)31/h2-9,11-12,14-19,30-31H,10,13H2,1H3,(H,29,32)
InChIKeyCMSSWLMDUZOVNB-UHFFFAOYSA-N
MW502.59 g/mol
LogP5.24
Rot. Bonds9

About N-(2-hydroxyphenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide

N-(2-hydroxyphenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide (PubChem CID 162645391) has the molecular formula C28H26N2O5S and a molecular weight of 502.59 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide
PubChem CID162645391
Molecular FormulaC28H26N2O5S
Molecular Weight502.59 g/mol
Exact Mass502.16
IUPAC NameN-(2-hydroxyphenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2CCc2ccc(C(=O)Nc3ccccc3O)cc2)cc1
InChIInChI=1S/C28H26N2O5S/c1-35-23-16-18-24(19-17-23)36(33,34)30-25-7-3-2-6-21(25)13-10-20-11-14-22(15-12-20)28(32)29-26-8-4-5-9-27(26)31/h2-9,11-12,14-19,30-31H,10,13H2,1H3,(H,29,32)
InChIKeyCMSSWLMDUZOVNB-UHFFFAOYSA-N
XLogP5.24
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.59
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-(4-fluorobenzenesulfonamido)-4-hydroxyphenyl)-(1,1'-biphenyl)-4-carboxamide
CID 138005721
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-(3-(4-fluorophenylsulfonamido)-4-methoxyphenyl)-[1,1'-biphenyl]-4-carboxamide
CID 5020799
N-(2-ethoxyphenyl)-4-methyl-3-{[(4-methylphenyl)amino]sulfonyl}benzamide
CID 1266608
(2-Benzamidophenyl) 4-methoxybenzenesulfonate
CID 9886310
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
4-{[(5-chloro-2-methylphenyl)(phenylsulfonyl)amino]methyl}-N-(2-methoxyphenyl)benzamide
CID 1361816
4-(dimethylsulfamoyl)-N-(2-methoxyphenyl)benzamide
CID 1547898
N-(2,4-dimethylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2079962
N-(2-methoxy-5-methylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 2208349
N-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2423238
N-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide
CID 2444155

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide?
The IUPAC name of N-(2-hydroxyphenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide (CID 162645391) is N-(2-hydroxyphenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide?
The canonical SMILES for N-(2-hydroxyphenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide is COc1ccc(S(=O)(=O)Nc2ccccc2CCc2ccc(C(=O)Nc3ccccc3O)cc2)cc1.
What is the InChIKey of N-(2-hydroxyphenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide?
The InChIKey is CMSSWLMDUZOVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5S/c1-35-23-16-18-24(19-17-23)36(33,34)30-25-7-3-2-6-21(25)13-10-20-11-14-22(15-12-20)28(32)29-26-8-4-5-9-27(26)31/h2-9,11-12,14-19,30-31H,10,13H2,1H3,(H,29,32).
What are the key properties of N-(2-hydroxyphenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide?
N-(2-hydroxyphenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide has a molecular weight of 502.59 g/mol, XLogP of 5.24, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-4-[2-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzamide is sourced from PubChem (CID 162645391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).