N-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide

C24H26N2O5S — CID 57395389

IUPACN-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1O
InChIInChI=1S/C24H26N2O5S/c1-31-23-13-10-20(17-22(23)27)26-24(28)14-9-19-7-11-21(12-8-19)32(29,30)25-16-15-18-5-3-2-4-6-18/h2-8,10-13,17,25,27H,9,14-16H2,1H3,(H,26,28)
InChIKeyNWHIUFKPGGIYNE-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.49
Rot. Bonds10

About N-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide

N-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (PubChem CID 57395389) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
PubChem CID57395389
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1O
InChIInChI=1S/C24H26N2O5S/c1-31-23-13-10-20(17-22(23)27)26-24(28)14-9-19-7-11-21(12-8-19)32(29,30)25-16-15-18-5-3-2-4-6-18/h2-8,10-13,17,25,27H,9,14-16H2,1H3,(H,26,28)
InChIKeyNWHIUFKPGGIYNE-UHFFFAOYSA-N
XLogP3.49
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
CID 134019079
N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 5055466
1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea
CID 17379791
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596
N-[3-oxo-3-[4-(2-phenylethylsulfamoyl)anilino]propyl]benzamide
CID 17154573
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
CID 17160952
4-oxo-4-phenyl-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
CID 108807364
3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 108807272
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide
CID 126237309

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (CID 57395389) is N-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The InChIKey is NWHIUFKPGGIYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-31-23-13-10-20(17-22(23)27)26-24(28)14-9-19-7-11-21(12-8-19)32(29,30)25-16-15-18-5-3-2-4-6-18/h2-8,10-13,17,25,27H,9,14-16H2,1H3,(H,26,28).
What are the key properties of N-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
N-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide has a molecular weight of 454.55 g/mol, XLogP of 3.49, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 57395389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).