N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide

C14H24N2O4S — CID 106410031

IUPACN-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide
SMILESC=CCCOCCNS(=O)(=O)c1ccc(CNCCC)o1
InChIInChI=1S/C14H24N2O4S/c1-3-5-10-19-11-9-16-21(17,18)14-7-6-13(20-14)12-15-8-4-2/h3,6-7,15-16H,1,4-5,8-12H2,2H3
InChIKeyUREMYMKUPBALCX-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.65
Rot. Bonds12

About N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide

N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide (PubChem CID 106410031) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide
PubChem CID106410031
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide
SMILESC=CCCOCCNS(=O)(=O)c1ccc(CNCCC)o1
InChIInChI=1S/C14H24N2O4S/c1-3-5-10-19-11-9-16-21(17,18)14-7-6-13(20-14)12-15-8-4-2/h3,6-7,15-16H,1,4-5,8-12H2,2H3
InChIKeyUREMYMKUPBALCX-UHFFFAOYSA-N
XLogP1.65
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106410034
N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 113465229
2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 115770524
N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide
CID 106425254
5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide
CID 106088778
5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide
CID 82940349
2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide
CID 106392649
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
N-(2-but-3-enoxyethyl)propane-1-sulfonamide
CID 103854037
4-N-(2-but-3-enoxyethyl)benzene-1,4-disulfonamide
CID 103854020
5-[(propan-2-ylamino)methyl]-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide
CID 106433444
5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide
CID 102701246

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide (CID 106410031) is N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide is C=CCCOCCNS(=O)(=O)c1ccc(CNCCC)o1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide?
The InChIKey is UREMYMKUPBALCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-3-5-10-19-11-9-16-21(17,18)14-7-6-13(20-14)12-15-8-4-2/h3,6-7,15-16H,1,4-5,8-12H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide?
N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.65, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 106410031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).