3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide

C23H24N2O4S — CID 27650136

IUPAC3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-24-30(27,28)22-14-7-18(8-15-22)9-16-23(26)25-20-10-12-21(13-11-20)29-17-19-5-3-2-4-6-19/h2-8,10-15,24H,9,16-17H2,1H3,(H,25,26)
InChIKeyAAYKPXNFTDQMNS-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.74
Rot. Bonds9

About 3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide

3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 27650136) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID27650136
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-24-30(27,28)22-14-7-18(8-15-22)9-16-23(26)25-20-10-12-21(13-11-20)29-17-19-5-3-2-4-6-19/h2-8,10-15,24H,9,16-17H2,1H3,(H,25,26)
InChIKeyAAYKPXNFTDQMNS-UHFFFAOYSA-N
XLogP3.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
N-[4-(4-ethoxyphenoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55363172
3-[4-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 119252165
3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 177005008
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-3-phenylpropanamide
CID 113000439
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55900939
N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 9219640
N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 46518240
N-(4-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 26701033
3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide
CID 55619533
N-[4-(3-fluorophenoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 52706285

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide (CID 27650136) is 3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide is CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is AAYKPXNFTDQMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-24-30(27,28)22-14-7-18(8-15-22)9-16-23(26)25-20-10-12-21(13-11-20)29-17-19-5-3-2-4-6-19/h2-8,10-15,24H,9,16-17H2,1H3,(H,25,26).
What are the key properties of 3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide?
3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 424.52 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 27650136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).