N-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide

C12H20N2O5S — CID 59156673

IUPACN-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide
SMILESCNCOc1ccc(NS(C)(=O)=O)cc1OCCOC
InChIInChI=1S/C12H20N2O5S/c1-13-9-19-11-5-4-10(14-20(3,15)16)8-12(11)18-7-6-17-2/h4-5,8,13-14H,6-7,9H2,1-3H3
InChIKeyYMDSAORBYQGHED-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.64
Rot. Bonds9

About N-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide

N-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide (PubChem CID 59156673) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide
PubChem CID59156673
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC NameN-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide
SMILESCNCOc1ccc(NS(C)(=O)=O)cc1OCCOC
InChIInChI=1S/C12H20N2O5S/c1-13-9-19-11-5-4-10(14-20(3,15)16)8-12(11)18-7-6-17-2/h4-5,8,13-14H,6-7,9H2,1-3H3
InChIKeyYMDSAORBYQGHED-UHFFFAOYSA-N
XLogP0.64
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide
CID 166594055
4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid
CID 55624724
N-[2-methoxy-3-methyl-6-(methylaminomethoxy)phenyl]methanesulfonamide
CID 23514871
2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide
CID 55895075
methyl 3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]-4-methylbenzoate
CID 55624593
N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide
CID 18615187
N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide
CID 21097532
1-[[4-tert-butyl-2-(2-methoxyethoxy)phenyl]methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea
CID 10277449
N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 55638935
[5-(methanesulfonamido)-2-methoxyphenyl] 3-aminopropanoate
CID 70612631
2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide (CID 59156673) is N-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide is CNCOc1ccc(NS(C)(=O)=O)cc1OCCOC.
What is the InChIKey of N-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide?
The InChIKey is YMDSAORBYQGHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-13-9-19-11-5-4-10(14-20(3,15)16)8-12(11)18-7-6-17-2/h4-5,8,13-14H,6-7,9H2,1-3H3.
What are the key properties of N-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide?
N-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 59156673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).