N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide

C13H24N2O5S — CID 81063705

IUPACN-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccc(CNCCOC)o1
InChIInChI=1S/C13H24N2O5S/c1-4-19-10-8-15(2)21(16,17)13-6-5-12(20-13)11-14-7-9-18-3/h5-6,14H,4,7-11H2,1-3H3
InChIKeyHKJCQHBCQOHLFZ-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.67
Rot. Bonds11

About N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide

N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide (PubChem CID 81063705) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide
PubChem CID81063705
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC NameN-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccc(CNCCOC)o1
InChIInChI=1S/C13H24N2O5S/c1-4-19-10-8-15(2)21(16,17)13-6-5-12(20-13)11-14-7-9-18-3/h5-6,14H,4,7-11H2,1-3H3
InChIKeyHKJCQHBCQOHLFZ-UHFFFAOYSA-N
XLogP0.67
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.67
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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Related Compounds

N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide
CID 81074904
N-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide
CID 114265091
N,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide
CID 82940209
5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide
CID 82943299
N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide
CID 106040255
5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide
CID 102701246
ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate
CID 115904417
N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide
CID 81064011
[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
CID 64593159
N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 81068198
N-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide
CID 114265090
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 115988547

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide (CID 81063705) is N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide is CCOCCN(C)S(=O)(=O)c1ccc(CNCCOC)o1.
What is the InChIKey of N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide?
The InChIKey is HKJCQHBCQOHLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-4-19-10-8-15(2)21(16,17)13-6-5-12(20-13)11-14-7-9-18-3/h5-6,14H,4,7-11H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide?
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide has a molecular weight of 320.41 g/mol, XLogP of 0.67, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide is sourced from PubChem (CID 81063705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).