2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide

C22H26F2N4O4S — CID 57343016

IUPAC2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(C2=NCCN2)cc1)C(=O)COCCN(C)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C22H26F2N4O4S/c1-27(14-16-6-8-17(9-7-16)22-25-10-11-26-22)20(29)15-32-13-12-28(2)33(30,31)21-18(23)4-3-5-19(21)24/h3-9H,10-15H2,1-2H3,(H,25,26)
InChIKeyXKGXBHHGZZKDSZ-UHFFFAOYSA-N
MW480.54 g/mol
LogP1.61
Rot. Bonds10

About 2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide

2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide (PubChem CID 57343016) has the molecular formula C22H26F2N4O4S and a molecular weight of 480.54 g/mol. Its IUPAC name is 2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
PubChem CID57343016
Molecular FormulaC22H26F2N4O4S
Molecular Weight480.54 g/mol
Exact Mass480.16
IUPAC Name2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(C2=NCCN2)cc1)C(=O)COCCN(C)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C22H26F2N4O4S/c1-27(14-16-6-8-17(9-7-16)22-25-10-11-26-22)20(29)15-32-13-12-28(2)33(30,31)21-18(23)4-3-5-19(21)24/h3-9H,10-15H2,1-2H3,(H,25,26)
InChIKeyXKGXBHHGZZKDSZ-UHFFFAOYSA-N
XLogP1.61
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide (CID 57343016) is 2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide is CN(Cc1ccc(C2=NCCN2)cc1)C(=O)COCCN(C)S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide?
The InChIKey is XKGXBHHGZZKDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O4S/c1-27(14-16-6-8-17(9-7-16)22-25-10-11-26-22)20(29)15-32-13-12-28(2)33(30,31)21-18(23)4-3-5-19(21)24/h3-9H,10-15H2,1-2H3,(H,25,26).
What are the key properties of 2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide?
2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]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 1.61, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 57343016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).