4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide

C25H27N3O5S — CID 27548773

IUPAC4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C25H27N3O5S/c1-18(29)28-22-9-13-24(14-10-22)34(31,32)27-17-20-3-7-21(8-4-20)25(30)26-16-15-19-5-11-23(33-2)12-6-19/h3-14,27H,15-17H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyXXYZOUYSWXXCPR-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.10
Rot. Bonds10

About 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide

4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 27548773) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID27548773
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C25H27N3O5S/c1-18(29)28-22-9-13-24(14-10-22)34(31,32)27-17-20-3-7-21(8-4-20)25(30)26-16-15-19-5-11-23(33-2)12-6-19/h3-14,27H,15-17H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyXXYZOUYSWXXCPR-UHFFFAOYSA-N
XLogP3.10
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109060824
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705
N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide
CID 110288838
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775887
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 20854193
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide
CID 42139578
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 27548773) is 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)cc1.
What is the InChIKey of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is XXYZOUYSWXXCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-18(29)28-22-9-13-24(14-10-22)34(31,32)27-17-20-3-7-21(8-4-20)25(30)26-16-15-19-5-11-23(33-2)12-6-19/h3-14,27H,15-17H2,1-2H3,(H,26,30)(H,28,29).
What are the key properties of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 481.57 g/mol, XLogP of 3.10, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 27548773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).