N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide

C23H24N2O4S — CID 4931030

IUPACN-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1C
InChIInChI=1S/C23H24N2O4S/c1-17-8-11-21(14-18(17)2)29-16-23(26)25-20-9-12-22(13-10-20)30(27,28)24-15-19-6-4-3-5-7-19/h3-14,24H,15-16H2,1-2H3,(H,25,26)
InChIKeyMJJPMYVTBFRAOJ-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.80
Rot. Bonds8

About N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide

N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 4931030) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID4931030
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1C
InChIInChI=1S/C23H24N2O4S/c1-17-8-11-21(14-18(17)2)29-16-23(26)25-20-9-12-22(13-10-20)30(27,28)24-15-19-6-4-3-5-7-19/h3-14,24H,15-16H2,1-2H3,(H,25,26)
InChIKeyMJJPMYVTBFRAOJ-UHFFFAOYSA-N
XLogP3.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 126204320
methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 126198183
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4928885
2-[4-(benzylsulfamoyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 126227786
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
2-naphthalen-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5169529
N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 4928938
2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
CID 126198035
N-(1,3-benzodioxol-5-yl)-2-[4-(benzylsulfamoyl)phenoxy]acetamide
CID 1088591
2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425
N-(4-phenylmethoxyphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 2210530
N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17145886

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide (CID 4931030) is N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1C.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is MJJPMYVTBFRAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-17-8-11-21(14-18(17)2)29-16-23(26)25-20-9-12-22(13-10-20)30(27,28)24-15-19-6-4-3-5-7-19/h3-14,24H,15-16H2,1-2H3,(H,25,26).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide?
N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 424.52 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 4931030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).