2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide

C19H23F2N3O3S — CID 24616559

IUPAC2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C19H23F2N3O3S/c1-3-4-12-24(2)28(26,27)15-10-8-14(9-11-15)22-13-18(25)23-19-16(20)6-5-7-17(19)21/h5-11,22H,3-4,12-13H2,1-2H3,(H,23,25)
InChIKeyOJKJGSZNSYTRRI-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.44
Rot. Bonds9

About 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide

2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide (PubChem CID 24616559) has the molecular formula C19H23F2N3O3S and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide
PubChem CID24616559
Molecular FormulaC19H23F2N3O3S
Molecular Weight411.47 g/mol
Exact Mass411.14
IUPAC Name2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C19H23F2N3O3S/c1-3-4-12-24(2)28(26,27)15-10-8-14(9-11-15)22-13-18(25)23-19-16(20)6-5-7-17(19)21/h5-11,22H,3-4,12-13H2,1-2H3,(H,23,25)
InChIKeyOJKJGSZNSYTRRI-UHFFFAOYSA-N
XLogP3.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(4-fluorophenyl)acetamide
CID 24616569
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide
CID 24616544
N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide
CID 24616557
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 24616609
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 7733392
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 7948733
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 38369270
methyl 4-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 26417367
N-[3-[4-[butyl(methyl)sulfamoyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 30669790
N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide
CID 39395142
N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide
CID 62808904

Frequently Asked Questions

What is the IUPAC name of 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide (CID 24616559) is 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide is CCCCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide?
The InChIKey is OJKJGSZNSYTRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O3S/c1-3-4-12-24(2)28(26,27)15-10-8-14(9-11-15)22-13-18(25)23-19-16(20)6-5-7-17(19)21/h5-11,22H,3-4,12-13H2,1-2H3,(H,23,25).
What are the key properties of 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide?
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide has a molecular weight of 411.47 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 24616559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).