5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide

C18H24F2N2O5S — CID 55852083

IUPAC5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCCOc1cc(CN(C)Cc2ccc(S(=O)(=O)N(C)C)o2)ccc1OC(F)F
InChIInChI=1S/C18H24F2N2O5S/c1-5-25-16-10-13(6-8-15(16)27-18(19)20)11-22(4)12-14-7-9-17(26-14)28(23,24)21(2)3/h6-10,18H,5,11-12H2,1-4H3
InChIKeyMIXXLAYBKAJKPB-UHFFFAOYSA-N
MW418.46 g/mol
LogP3.16
Rot. Bonds10

About 5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide

5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 55852083) has the molecular formula C18H24F2N2O5S and a molecular weight of 418.46 g/mol. Its IUPAC name is 5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide
PubChem CID55852083
Molecular FormulaC18H24F2N2O5S
Molecular Weight418.46 g/mol
Exact Mass418.14
IUPAC Name5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCCOc1cc(CN(C)Cc2ccc(S(=O)(=O)N(C)C)o2)ccc1OC(F)F
InChIInChI=1S/C18H24F2N2O5S/c1-5-25-16-10-13(6-8-15(16)27-18(19)20)11-22(4)12-14-7-9-17(26-14)28(23,24)21(2)3/h6-10,18H,5,11-12H2,1-4H3
InChIKeyMIXXLAYBKAJKPB-UHFFFAOYSA-N
XLogP3.16
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide 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 5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide (CID 55852083) is 5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide is CCOc1cc(CN(C)Cc2ccc(S(=O)(=O)N(C)C)o2)ccc1OC(F)F.
What is the InChIKey of 5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is MIXXLAYBKAJKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O5S/c1-5-25-16-10-13(6-8-15(16)27-18(19)20)11-22(4)12-14-7-9-17(26-14)28(23,24)21(2)3/h6-10,18H,5,11-12H2,1-4H3.
What are the key properties of 5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide?
5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 418.46 g/mol, XLogP of 3.16, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 55852083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).