2-[2-[(2,4-difluorophenyl)sulfonylmethylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide

C22H26F2N4O4S — CID 68882907

IUPAC2-[2-[(2,4-difluorophenyl)sulfonylmethylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(C2=NCCN2)cc1)C(=O)COCCNCS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H26F2N4O4S/c1-28(13-16-2-4-17(5-3-16)22-26-8-9-27-22)21(29)14-32-11-10-25-15-33(30,31)20-7-6-18(23)12-19(20)24/h2-7,12,25H,8-11,13-15H2,1H3,(H,26,27)
InChIKeyYDCWRJFDWBGKDS-UHFFFAOYSA-N
MW480.54 g/mol
LogP1.31
Rot. Bonds11

About 2-[2-[(2,4-difluorophenyl)sulfonylmethylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide

2-[2-[(2,4-difluorophenyl)sulfonylmethylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide (PubChem CID 68882907) has the molecular formula C22H26F2N4O4S and a molecular weight of 480.54 g/mol. Its IUPAC name is 2-[2-[(2,4-difluorophenyl)sulfonylmethylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(2,4-difluorophenyl)sulfonylmethylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
PubChem CID68882907
Molecular FormulaC22H26F2N4O4S
Molecular Weight480.54 g/mol
Exact Mass480.16
IUPAC Name2-[2-[(2,4-difluorophenyl)sulfonylmethylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(C2=NCCN2)cc1)C(=O)COCCNCS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H26F2N4O4S/c1-28(13-16-2-4-17(5-3-16)22-26-8-9-27-22)21(29)14-32-11-10-25-15-33(30,31)20-7-6-18(23)12-19(20)24/h2-7,12,25H,8-11,13-15H2,1H3,(H,26,27)
InChIKeyYDCWRJFDWBGKDS-UHFFFAOYSA-N
XLogP1.31
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[(2,4-difluorophenyl)sulfonylmethylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide 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 2-[2-[(2,4-difluorophenyl)sulfonylmethylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-[2-[(2,4-difluorophenyl)sulfonylmethylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide (CID 68882907) is 2-[2-[(2,4-difluorophenyl)sulfonylmethylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(2,4-difluorophenyl)sulfonylmethylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[(2,4-difluorophenyl)sulfonylmethylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide is CN(Cc1ccc(C2=NCCN2)cc1)C(=O)COCCNCS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-[2-[(2,4-difluorophenyl)sulfonylmethylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide?
The InChIKey is YDCWRJFDWBGKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O4S/c1-28(13-16-2-4-17(5-3-16)22-26-8-9-27-22)21(29)14-32-11-10-25-15-33(30,31)20-7-6-18(23)12-19(20)24/h2-7,12,25H,8-11,13-15H2,1H3,(H,26,27).
What are the key properties of 2-[2-[(2,4-difluorophenyl)sulfonylmethylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide?
2-[2-[(2,4-difluorophenyl)sulfonylmethylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide has a molecular weight of 480.54 g/mol, XLogP of 1.31, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-difluorophenyl)sulfonylmethylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 68882907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).