2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide

C20H25F2N3O4S — CID 33457323

IUPAC2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1ccccc1S(=O)(=O)N(C)C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H25F2N3O4S/c1-24(2)30(27,28)18-7-5-4-6-16(18)12-23-19(26)14-25(3)13-15-8-10-17(11-9-15)29-20(21)22/h4-11,20H,12-14H2,1-3H3,(H,23,26)
InChIKeyYSWROJMJHVHLJL-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.29
Rot. Bonds10

About 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide

2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 33457323) has the molecular formula C20H25F2N3O4S and a molecular weight of 441.50 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
PubChem CID33457323
Molecular FormulaC20H25F2N3O4S
Molecular Weight441.50 g/mol
Exact Mass441.15
IUPAC Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1ccccc1S(=O)(=O)N(C)C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H25F2N3O4S/c1-24(2)30(27,28)18-7-5-4-6-16(18)12-23-19(26)14-25(3)13-15-8-10-17(11-9-15)29-20(21)22/h4-11,20H,12-14H2,1-3H3,(H,23,26)
InChIKeyYSWROJMJHVHLJL-UHFFFAOYSA-N
XLogP2.29
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]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

4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 26060041
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 26060329
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide
CID 9023545
N-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 134038489
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
CID 42935570
N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9024086
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide
CID 55591185
2-[4-(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]acetamide
CID 33181859
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-naphthalen-2-ylacetamide
CID 9023955
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine
CID 111678220
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide
CID 51169219

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide (CID 33457323) is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide is CN(CC(=O)NCc1ccccc1S(=O)(=O)N(C)C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is YSWROJMJHVHLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O4S/c1-24(2)30(27,28)18-7-5-4-6-16(18)12-23-19(26)14-25(3)13-15-8-10-17(11-9-15)29-20(21)22/h4-11,20H,12-14H2,1-3H3,(H,23,26).
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 441.50 g/mol, XLogP of 2.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 33457323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).