3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide

C24H26N2O5S — CID 126237309

IUPAC3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C24H26N2O5S/c1-30-20-11-14-22(23(16-20)31-2)26-24(27)15-10-18-8-12-21(13-9-18)32(28,29)25-17-19-6-4-3-5-7-19/h3-9,11-14,16,25H,10,15,17H2,1-2H3,(H,26,27)
InChIKeyHODLNVWFMKFJNN-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.75
Rot. Bonds10

About 3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide

3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 126237309) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID126237309
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C24H26N2O5S/c1-30-20-11-14-22(23(16-20)31-2)26-24(27)15-10-18-8-12-21(13-9-18)32(28,29)25-17-19-6-4-3-5-7-19/h3-9,11-14,16,25H,10,15,17H2,1-2H3,(H,26,27)
InChIKeyHODLNVWFMKFJNN-UHFFFAOYSA-N
XLogP3.75
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(ethylsulfamoyl)phenyl]-N-(2-methoxyphenyl)propanamide
CID 2227902
3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide
CID 126227045
N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 1211084
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030966
N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112999271
N-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192805
N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 39755109
2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 126155694
3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide
CID 126395833

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide (CID 126237309) is 3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c(OC)c1.
What is the InChIKey of 3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is HODLNVWFMKFJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-30-20-11-14-22(23(16-20)31-2)26-24(27)15-10-18-8-12-21(13-9-18)32(28,29)25-17-19-6-4-3-5-7-19/h3-9,11-14,16,25H,10,15,17H2,1-2H3,(H,26,27).
What are the key properties of 3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide?
3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 454.55 g/mol, XLogP of 3.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 126237309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).