N-[2-[(1-benzylindazol-3-yl)methylsulfamoyl]-4-methylphenyl]acetamide

C24H24N4O3S — CID 53164172

IUPACN-[2-[(1-benzylindazol-3-yl)methylsulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)NCc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H24N4O3S/c1-17-12-13-21(26-18(2)29)24(14-17)32(30,31)25-15-22-20-10-6-7-11-23(20)28(27-22)16-19-8-4-3-5-9-19/h3-14,25H,15-16H2,1-2H3,(H,26,29)
InChIKeyYFPQYRCIFYZAMX-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.83
Rot. Bonds7

About N-[2-[(1-benzylindazol-3-yl)methylsulfamoyl]-4-methylphenyl]acetamide

N-[2-[(1-benzylindazol-3-yl)methylsulfamoyl]-4-methylphenyl]acetamide (PubChem CID 53164172) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[2-[(1-benzylindazol-3-yl)methylsulfamoyl]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-benzylindazol-3-yl)methylsulfamoyl]-4-methylphenyl]acetamide
PubChem CID53164172
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-[2-[(1-benzylindazol-3-yl)methylsulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)NCc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H24N4O3S/c1-17-12-13-21(26-18(2)29)24(14-17)32(30,31)25-15-22-20-10-6-7-11-23(20)28(27-22)16-19-8-4-3-5-9-19/h3-14,25H,15-16H2,1-2H3,(H,26,29)
InChIKeyYFPQYRCIFYZAMX-UHFFFAOYSA-N
XLogP3.83
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[(1-benzylindazol-3-yl)methylsulfamoyl]-4-methylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzylindazol-3-yl)methylsulfamoyl]-4-methylphenyl]acetamide?
The IUPAC name of N-[2-[(1-benzylindazol-3-yl)methylsulfamoyl]-4-methylphenyl]acetamide (CID 53164172) is N-[2-[(1-benzylindazol-3-yl)methylsulfamoyl]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[2-[(1-benzylindazol-3-yl)methylsulfamoyl]-4-methylphenyl]acetamide?
The canonical SMILES for N-[2-[(1-benzylindazol-3-yl)methylsulfamoyl]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)cc1S(=O)(=O)NCc1nn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of N-[2-[(1-benzylindazol-3-yl)methylsulfamoyl]-4-methylphenyl]acetamide?
The InChIKey is YFPQYRCIFYZAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-17-12-13-21(26-18(2)29)24(14-17)32(30,31)25-15-22-20-10-6-7-11-23(20)28(27-22)16-19-8-4-3-5-9-19/h3-14,25H,15-16H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[(1-benzylindazol-3-yl)methylsulfamoyl]-4-methylphenyl]acetamide?
N-[2-[(1-benzylindazol-3-yl)methylsulfamoyl]-4-methylphenyl]acetamide has a molecular weight of 448.55 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzylindazol-3-yl)methylsulfamoyl]-4-methylphenyl]acetamide is sourced from PubChem (CID 53164172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).