5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide

C13H23NO5S — CID 106014493

IUPAC5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide
SMILESCc1oc(CO)cc1S(=O)(=O)NCCCCOC(C)C
InChIInChI=1S/C13H23NO5S/c1-10(2)18-7-5-4-6-14-20(16,17)13-8-12(9-15)19-11(13)3/h8,10,14-15H,4-7,9H2,1-3H3
InChIKeyJLOMAMDHCGFEJQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.56
Rot. Bonds9

About 5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide

5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide (PubChem CID 106014493) has the molecular formula C13H23NO5S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide
PubChem CID106014493
Molecular FormulaC13H23NO5S
Molecular Weight305.40 g/mol
Exact Mass305.13
IUPAC Name5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide
SMILESCc1oc(CO)cc1S(=O)(=O)NCCCCOC(C)C
InChIInChI=1S/C13H23NO5S/c1-10(2)18-7-5-4-6-14-20(16,17)13-8-12(9-15)19-11(13)3/h8,10,14-15H,4-7,9H2,1-3H3
InChIKeyJLOMAMDHCGFEJQ-UHFFFAOYSA-N
XLogP1.56
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114133466
N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 106001563
5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701313
2-(hydroxymethyl)-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106014448
5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147038
5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433689
2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide
CID 106044189
5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide
CID 114135110
4-fluoro-3-(hydroxymethyl)-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106014466
5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059070
4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106011750
5-bromo-2-methyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 33143864

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide (CID 106014493) is 5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide is Cc1oc(CO)cc1S(=O)(=O)NCCCCOC(C)C.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide?
The InChIKey is JLOMAMDHCGFEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5S/c1-10(2)18-7-5-4-6-14-20(16,17)13-8-12(9-15)19-11(13)3/h8,10,14-15H,4-7,9H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide?
5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide is sourced from PubChem (CID 106014493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).